1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine

C15H24ClN — CID 79412787

IUPAC1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccccc1Cl)NC(C)C
InChIInChI=1S/C15H24ClN/c1-4-5-9-14(17-12(2)3)11-13-8-6-7-10-15(13)16/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3
InChIKeyILIJMBPHSQIQJN-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.44
Rot. Bonds7

About 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine

1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine (PubChem CID 79412787) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
PubChem CID79412787
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ccccc1Cl)NC(C)C
InChIInChI=1S/C15H24ClN/c1-4-5-9-14(17-12(2)3)11-13-8-6-7-10-15(13)16/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3
InChIKeyILIJMBPHSQIQJN-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
CID 134880054
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
CID 79413154
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine (CID 79412787) is 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1ccccc1Cl)NC(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine?
The InChIKey is ILIJMBPHSQIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-5-9-14(17-12(2)3)11-13-8-6-7-10-15(13)16/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine?
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79412787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).