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

C18H31N — CID 63415851

IUPACN-ethyl-1-(4-methylphenyl)nonan-2-amine
SMILESCCCCCCCC(Cc1ccc(C)cc1)NCC
InChIInChI=1S/C18H31N/c1-4-6-7-8-9-10-18(19-5-2)15-17-13-11-16(3)12-14-17/h11-14,18-19H,4-10,15H2,1-3H3
InChIKeyABCZKNKDTVJANN-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.88
Rot. Bonds10

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

N-ethyl-1-(4-methylphenyl)nonan-2-amine (PubChem CID 63415851) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)nonan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)nonan-2-amine
PubChem CID63415851
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-1-(4-methylphenyl)nonan-2-amine
SMILESCCCCCCCC(Cc1ccc(C)cc1)NCC
InChIInChI=1S/C18H31N/c1-4-6-7-8-9-10-18(19-5-2)15-17-13-11-16(3)12-14-17/h11-14,18-19H,4-10,15H2,1-3H3
InChIKeyABCZKNKDTVJANN-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.88
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-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)nonan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)nonan-2-amine (CID 63415851) is N-ethyl-1-(4-methylphenyl)nonan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)nonan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)nonan-2-amine is CCCCCCCC(Cc1ccc(C)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)nonan-2-amine?
The InChIKey is ABCZKNKDTVJANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-6-7-8-9-10-18(19-5-2)15-17-13-11-16(3)12-14-17/h11-14,18-19H,4-10,15H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)nonan-2-amine?
N-ethyl-1-(4-methylphenyl)nonan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)nonan-2-amine is sourced from PubChem (CID 63415851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).