1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine

C18H20ClN — CID 79978825

IUPAC1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN/c1-13(17-3-2-4-18(19)11-17)20-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16,20H,9-10,12H2,1H3
InChIKeyKAQOMAIRDFMPIU-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.07
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine (PubChem CID 79978825) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
PubChem CID79978825
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN/c1-13(17-3-2-4-18(19)11-17)20-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16,20H,9-10,12H2,1H3
InChIKeyKAQOMAIRDFMPIU-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437957
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine (CID 79978825) is 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine is CC(NCc1ccc(C2CC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is KAQOMAIRDFMPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13(17-3-2-4-18(19)11-17)20-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16,20H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 79978825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).