(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine

C19H22FN — CID 81369428

IUPAC(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NC(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C19H22FN/c1-13-4-3-5-17(12-13)14(2)21-19(15-6-7-15)16-8-10-18(20)11-9-16/h3-5,8-12,14-15,19,21H,6-7H2,1-2H3/t14-,19?/m1/s1
InChIKeyBNPVVGLKCCYMEW-MJTSIZKDSA-N
MW283.39 g/mol
LogP4.94
Rot. Bonds5

About (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81369428) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81369428
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NC(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C19H22FN/c1-13-4-3-5-17(12-13)14(2)21-19(15-6-7-15)16-8-10-18(20)11-9-16/h3-5,8-12,14-15,19,21H,6-7H2,1-2H3/t14-,19?/m1/s1
InChIKeyBNPVVGLKCCYMEW-MJTSIZKDSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81369428) is (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NC(c2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is BNPVVGLKCCYMEW-MJTSIZKDSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-4-3-5-17(12-13)14(2)21-19(15-6-7-15)16-8-10-18(20)11-9-16/h3-5,8-12,14-15,19,21H,6-7H2,1-2H3/t14-,19?/m1/s1.
What are the key properties of (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 283.39 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81369428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).