2-(4-chlorophenyl)-N,4-diethylhexan-1-amine

C16H26ClN — CID 82930759

IUPAC2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
SMILESCCNCC(CC(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-4-13(5-2)11-15(12-18-6-3)14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyPSNCDLBKQVNZSR-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.86
Rot. Bonds8

About 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine

2-(4-chlorophenyl)-N,4-diethylhexan-1-amine (PubChem CID 82930759) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
PubChem CID82930759
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
SMILESCCNCC(CC(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-4-13(5-2)11-15(12-18-6-3)14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyPSNCDLBKQVNZSR-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-bromo-4-ethylhexan-2-yl)-4-chlorobenzene
CID 82934984
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3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
CID 142142962
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
4-tert-butylsulfonyl-2-(4-chlorophenyl)-N-ethylbutan-1-amine
CID 106730140
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine (CID 82930759) is 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine is CCNCC(CC(CC)CC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine?
The InChIKey is PSNCDLBKQVNZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-13(5-2)11-15(12-18-6-3)14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine?
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,4-diethylhexan-1-amine is sourced from PubChem (CID 82930759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).