N-methyl-2-(4-methylphenyl)nonan-1-amine

C17H29N — CID 79436826

IUPACN-methyl-2-(4-methylphenyl)nonan-1-amine
SMILESCCCCCCCC(CNC)c1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-4-5-6-7-8-9-17(14-18-3)16-12-10-15(2)11-13-16/h10-13,17-18H,4-9,14H2,1-3H3
InChIKeyXUXHFDLIARVOAP-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.66
Rot. Bonds9

About N-methyl-2-(4-methylphenyl)nonan-1-amine

N-methyl-2-(4-methylphenyl)nonan-1-amine (PubChem CID 79436826) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)nonan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)nonan-1-amine
PubChem CID79436826
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-methyl-2-(4-methylphenyl)nonan-1-amine
SMILESCCCCCCCC(CNC)c1ccc(C)cc1
InChIInChI=1S/C17H29N/c1-4-5-6-7-8-9-17(14-18-3)16-12-10-15(2)11-13-16/h10-13,17-18H,4-9,14H2,1-3H3
InChIKeyXUXHFDLIARVOAP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-undecan-6-ylbenzene
CID 54207407
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
2-phenyl-N-propylnonan-1-amine
CID 65429485
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
1-(1-bromooctyl)-4-methylbenzene
CID 63437569

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)nonan-1-amine?
The IUPAC name of N-methyl-2-(4-methylphenyl)nonan-1-amine (CID 79436826) is N-methyl-2-(4-methylphenyl)nonan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)nonan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)nonan-1-amine is CCCCCCCC(CNC)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)nonan-1-amine?
The InChIKey is XUXHFDLIARVOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-5-6-7-8-9-17(14-18-3)16-12-10-15(2)11-13-16/h10-13,17-18H,4-9,14H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylphenyl)nonan-1-amine?
N-methyl-2-(4-methylphenyl)nonan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)nonan-1-amine is sourced from PubChem (CID 79436826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).