1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine

C16H26ClN — CID 114209914

IUPAC1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
SMILESCNC(CCCC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-16(2,3)11-5-6-15(18-4)12-13-7-9-14(17)10-8-13/h7-10,15,18H,5-6,11-12H2,1-4H3
InChIKeySAOHBVTVDOBKMJ-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds6

About 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine

1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine (PubChem CID 114209914) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
PubChem CID114209914
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
SMILESCNC(CCCC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-16(2,3)11-5-6-15(18-4)12-13-7-9-14(17)10-8-13/h7-10,15,18H,5-6,11-12H2,1-4H3
InChIKeySAOHBVTVDOBKMJ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
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1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
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CID 60820361
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1-(4-iodophenyl)-N-methylhexan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine (CID 114209914) is 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine is CNC(CCCC(C)(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine?
The InChIKey is SAOHBVTVDOBKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-16(2,3)11-5-6-15(18-4)12-13-7-9-14(17)10-8-13/h7-10,15,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine?
1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine is sourced from PubChem (CID 114209914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).