2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine

C17H29N — CID 79437253

IUPAC2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CNCC(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-5-6-7-17(13-18-12-14(2)3)16-10-8-15(4)9-11-16/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyYJGIDLIIVSYMCS-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.51
Rot. Bonds8

About 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine

2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 79437253) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID79437253
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CNCC(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-5-6-7-17(13-18-12-14(2)3)16-10-8-15(4)9-11-16/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyYJGIDLIIVSYMCS-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-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
1-methyl-4-undecan-6-ylbenzene
CID 54207407
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine (CID 79437253) is 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine is CCCCC(CNCC(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is YJGIDLIIVSYMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-6-7-17(13-18-12-14(2)3)16-10-8-15(4)9-11-16/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine?
2-(4-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-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 79437253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).