N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine

C18H22FN — CID 63424855

IUPACN-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C(C)C)cc2)cc1F
InChIInChI=1S/C18H22FN/c1-4-20-12-17-10-9-16(11-18(17)19)15-7-5-14(6-8-15)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyFVACKROGWCDIDP-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.73
Rot. Bonds5

About N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine (PubChem CID 63424855) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
PubChem CID63424855
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C(C)C)cc2)cc1F
InChIInChI=1S/C18H22FN/c1-4-20-12-17-10-9-16(11-18(17)19)15-7-5-14(6-8-15)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyFVACKROGWCDIDP-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine
CID 61033173
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine (CID 63424855) is N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(C(C)C)cc2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
The InChIKey is FVACKROGWCDIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-12-17-10-9-16(11-18(17)19)15-7-5-14(6-8-15)13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63424855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).