2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine

C18H22ClN — CID 63496180

IUPAC2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-2-20-14-17(12-15-6-4-3-5-7-15)13-16-8-10-18(19)11-9-16/h3-11,17,20H,2,12-14H2,1H3
InChIKeyLCLPNMFUDUTQQA-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.35
Rot. Bonds7

About 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine

2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 63496180) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID63496180
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-2-20-14-17(12-15-6-4-3-5-7-15)13-16-8-10-18(19)11-9-16/h3-11,17,20H,2,12-14H2,1H3
InChIKeyLCLPNMFUDUTQQA-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
2-[(4-chlorophenyl)methyl]-N-ethyl-4-methylsulfonylbutan-1-amine
CID 62514170
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine (CID 63496180) is 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is LCLPNMFUDUTQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-2-20-14-17(12-15-6-4-3-5-7-15)13-16-8-10-18(19)11-9-16/h3-11,17,20H,2,12-14H2,1H3.
What are the key properties of 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine?
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 63496180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).