2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine

C16H26ClN — CID 55196988

IUPAC2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CNC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-4-5-8-14(12-18-13(2)3)11-15-9-6-7-10-16(15)17/h6-7,9-10,13-14,18H,4-5,8,11-12H2,1-3H3
InChIKeyAZTUGVDZGONNOY-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine

2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine (PubChem CID 55196988) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
PubChem CID55196988
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CNC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-4-5-8-14(12-18-13(2)3)11-15-9-6-7-10-16(15)17/h6-7,9-10,13-14,18H,4-5,8,11-12H2,1-3H3
InChIKeyAZTUGVDZGONNOY-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine (CID 55196988) is 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine is CCCCC(CNC(C)C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine?
The InChIKey is AZTUGVDZGONNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-5-8-14(12-18-13(2)3)11-15-9-6-7-10-16(15)17/h6-7,9-10,13-14,18H,4-5,8,11-12H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine?
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 55196988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).