2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine

C17H29N — CID 79421507

IUPAC2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CNCC(C)C)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-6-10-16(13-18-12-14(2)3)17-11-8-7-9-15(17)4/h7-9,11,14,16,18H,5-6,10,12-13H2,1-4H3
InChIKeyGEBVIBSHVXPOCE-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.51
Rot. Bonds8

About 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine

2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 79421507) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID79421507
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CNCC(C)C)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-6-10-16(13-18-12-14(2)3)17-11-8-7-9-15(17)4/h7-9,11,14,16,18H,5-6,10,12-13H2,1-4H3
InChIKeyGEBVIBSHVXPOCE-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
1-decan-3-yl-2-methylbenzene
CID 152506171
2-(2-methylphenyl)decan-1-amine
CID 79421405
1-(1-chlorooctan-2-yl)-2-methylbenzene
CID 79419086
1-(1-bromooctan-2-yl)-2-methylbenzene
CID 79419011
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine (CID 79421507) is 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine is CCCCC(CNCC(C)C)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is GEBVIBSHVXPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-6-10-16(13-18-12-14(2)3)17-11-8-7-9-15(17)4/h7-9,11,14,16,18H,5-6,10,12-13H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 79421507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).