N-[1-(4-methylphenyl)propyl]nonan-2-amine

C19H33N — CID 43714881

IUPACN-[1-(4-methylphenyl)propyl]nonan-2-amine
SMILESCCCCCCCC(C)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C19H33N/c1-5-7-8-9-10-11-17(4)20-19(6-2)18-14-12-16(3)13-15-18/h12-15,17,19-20H,5-11H2,1-4H3
InChIKeyVWLTYSIZBDGSMJ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.78
Rot. Bonds10

About N-[1-(4-methylphenyl)propyl]nonan-2-amine

N-[1-(4-methylphenyl)propyl]nonan-2-amine (PubChem CID 43714881) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]nonan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]nonan-2-amine
PubChem CID43714881
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[1-(4-methylphenyl)propyl]nonan-2-amine
SMILESCCCCCCCC(C)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C19H33N/c1-5-7-8-9-10-11-17(4)20-19(6-2)18-14-12-16(3)13-15-18/h12-15,17,19-20H,5-11H2,1-4H3
InChIKeyVWLTYSIZBDGSMJ-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.78
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

N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine
CID 116534361
N-(1-phenylpentyl)octan-2-amine
CID 43791089
1-(4-methylphenyl)heptylhydrazine
CID 105194415
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
2-[1-(heptan-2-ylamino)propyl]phenol
CID 43572696
1-methyl-4-undecan-6-ylbenzene
CID 54207407
N-[1-(4-bromophenyl)ethyl]nonan-2-amine
CID 63454622

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]nonan-2-amine?
The IUPAC name of N-[1-(4-methylphenyl)propyl]nonan-2-amine (CID 43714881) is N-[1-(4-methylphenyl)propyl]nonan-2-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]nonan-2-amine?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]nonan-2-amine is CCCCCCCC(C)NC(CC)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]nonan-2-amine?
The InChIKey is VWLTYSIZBDGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-7-8-9-10-11-17(4)20-19(6-2)18-14-12-16(3)13-15-18/h12-15,17,19-20H,5-11H2,1-4H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]nonan-2-amine?
N-[1-(4-methylphenyl)propyl]nonan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]nonan-2-amine is sourced from PubChem (CID 43714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).