N-ethyl-1-(4-ethylphenyl)decan-2-amine

C20H35N — CID 115803801

IUPACN-ethyl-1-(4-ethylphenyl)decan-2-amine
SMILESCCCCCCCCC(Cc1ccc(CC)cc1)NCC
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-11-12-20(21-6-3)17-19-15-13-18(5-2)14-16-19/h13-16,20-21H,4-12,17H2,1-3H3
InChIKeyYTROBRWGXQMRDS-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.52
Rot. Bonds12

About N-ethyl-1-(4-ethylphenyl)decan-2-amine

N-ethyl-1-(4-ethylphenyl)decan-2-amine (PubChem CID 115803801) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)decan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)decan-2-amine
PubChem CID115803801
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-ethyl-1-(4-ethylphenyl)decan-2-amine
SMILESCCCCCCCCC(Cc1ccc(CC)cc1)NCC
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-11-12-20(21-6-3)17-19-15-13-18(5-2)14-16-19/h13-16,20-21H,4-12,17H2,1-3H3
InChIKeyYTROBRWGXQMRDS-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.52
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-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)decan-2-amine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)decan-2-amine (CID 115803801) is N-ethyl-1-(4-ethylphenyl)decan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)decan-2-amine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)decan-2-amine is CCCCCCCCC(Cc1ccc(CC)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)decan-2-amine?
The InChIKey is YTROBRWGXQMRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-7-8-9-10-11-12-20(21-6-3)17-19-15-13-18(5-2)14-16-19/h13-16,20-21H,4-12,17H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)decan-2-amine?
N-ethyl-1-(4-ethylphenyl)decan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)decan-2-amine is sourced from PubChem (CID 115803801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).