N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine

C14H20FN — CID 66023794

IUPACN-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN/c1-11(2)16-10-14(7-8-14)9-12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeyHZJUBRSGSZJEAM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.15
Rot. Bonds5

About N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66023794) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66023794
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN/c1-11(2)16-10-14(7-8-14)9-12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeyHZJUBRSGSZJEAM-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521648
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906604

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66023794) is N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is HZJUBRSGSZJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11(2)16-10-14(7-8-14)9-12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66023794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).