1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine

C19H24ClN — CID 43096351

IUPAC1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine
SMILESCCCCc1ccc(C(C)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-4-7-16-10-12-17(13-11-16)15(2)21-14-18-8-5-6-9-19(18)20/h5-6,8-13,15,21H,3-4,7,14H2,1-2H3
InChIKeyTWWUBONAOWIEQN-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.53
Rot. Bonds7

About 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine

1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine (PubChem CID 43096351) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine
PubChem CID43096351
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine
SMILESCCCCc1ccc(C(C)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-4-7-16-10-12-17(13-11-16)15(2)21-14-18-8-5-6-9-19(18)20/h5-6,8-13,15,21H,3-4,7,14H2,1-2H3
InChIKeyTWWUBONAOWIEQN-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[1-(4-butylphenyl)ethyl]-2,3-dichloroaniline
CID 63421765
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
N-[(2-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855026
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine (CID 43096351) is 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine is CCCCc1ccc(C(C)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The InChIKey is TWWUBONAOWIEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-4-7-16-10-12-17(13-11-16)15(2)21-14-18-8-5-6-9-19(18)20/h5-6,8-13,15,21H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43096351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).