(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine

C18H19ClFN — CID 81351699

IUPAC(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C18H19ClFN/c1-12(13-6-10-17(20)11-7-13)21-18(14-2-3-14)15-4-8-16(19)9-5-15/h4-12,14,18,21H,2-3H2,1H3/t12-,18?/m1/s1
InChIKeyYXXRTJVKEBNJJW-GKOGFXNCSA-N
MW303.81 g/mol
LogP5.28
Rot. Bonds5

About (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81351699) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81351699
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C18H19ClFN/c1-12(13-6-10-17(20)11-7-13)21-18(14-2-3-14)15-4-8-16(19)9-5-15/h4-12,14,18,21H,2-3H2,1H3/t12-,18?/m1/s1
InChIKeyYXXRTJVKEBNJJW-GKOGFXNCSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine with MolForge

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 41200264
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine (CID 81351699) is (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine is C[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is YXXRTJVKEBNJJW-GKOGFXNCSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-12(13-6-10-17(20)11-7-13)21-18(14-2-3-14)15-4-8-16(19)9-5-15/h4-12,14,18,21H,2-3H2,1H3/t12-,18?/m1/s1.
What are the key properties of (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81351699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).