1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine

C20H28FN — CID 153419464

IUPAC1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine
SMILESCC(C)c1ccc(CNCC23CC4CC(C2)C(C4)C3)c(F)c1
InChIInChI=1S/C20H28FN/c1-13(2)15-3-4-16(19(21)7-15)11-22-12-20-8-14-5-17(9-20)18(6-14)10-20/h3-4,7,13-14,17-18,22H,5-6,8-12H2,1-2H3
InChIKeyKLHYZTUYWJGHTJ-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.86
Rot. Bonds5

About 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine

1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine (PubChem CID 153419464) has the molecular formula C20H28FN and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine
PubChem CID153419464
Molecular FormulaC20H28FN
Molecular Weight301.45 g/mol
Exact Mass301.22
IUPAC Name1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine
SMILESCC(C)c1ccc(CNCC23CC4CC(C2)C(C4)C3)c(F)c1
InChIInChI=1S/C20H28FN/c1-13(2)15-3-4-16(19(21)7-15)11-22-12-20-8-14-5-17(9-20)18(6-14)10-20/h3-4,7,13-14,17-18,22H,5-6,8-12H2,1-2H3
InChIKeyKLHYZTUYWJGHTJ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
CID 135357607
1-adamantylmethanamine;methyl 4-[(1-adamantylmethylamino)methyl]-3-fluorobenzoate;methyl 4-(bromomethyl)-3-fluorobenzoate
CID 160859198
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-(1-adamantylmethyl)-1-(2-fluoro-4-propan-2-ylphenyl)methanamine;N-(1-adamantylmethyl)-1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine;N-(1-adamantylmethyl)-N-methyl-1-(6-propan-2-yl-7,8-dihydronaphthalen-2-yl)methanamine;N-(1-adamantylmethyl)-N-methyl-1-(3-propan-2-ylphenyl)methanamine;N-(1-adamantylmethyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine;N-(1-adamantylmethyl)-1-(6-propan-2-yl-7,8-dihydronaphthalen-2-yl)methanamine;N-(1-adamantylmethyl)-1-(4-propan-2-ylphenyl)methanamine;1-[4-fluoro-2-[(4-propan-2-ylphenyl)methyl]butyl]adamantane;N-[(3-propan-2-ylphenyl)methyl]adamantan-1-amine
CID 159114148
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453
1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
CID 145147205
4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide
CID 153453877
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
N-[(4-chloro-2-fluorophenyl)methyl]adamantan-1-amine
CID 114841278
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115762

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine (CID 153419464) is 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine is CC(C)c1ccc(CNCC23CC4CC(C2)C(C4)C3)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
The InChIKey is KLHYZTUYWJGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN/c1-13(2)15-3-4-16(19(21)7-15)11-22-12-20-8-14-5-17(9-20)18(6-14)10-20/h3-4,7,13-14,17-18,22H,5-6,8-12H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine has a molecular weight of 301.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylphenyl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine is sourced from PubChem (CID 153419464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).