N-ethyl-1-(2-methylphenyl)decan-2-amine

C19H33N — CID 63417244

IUPACN-ethyl-1-(2-methylphenyl)decan-2-amine
SMILESCCCCCCCCC(Cc1ccccc1C)NCC
InChIInChI=1S/C19H33N/c1-4-6-7-8-9-10-15-19(20-5-2)16-18-14-12-11-13-17(18)3/h11-14,19-20H,4-10,15-16H2,1-3H3
InChIKeySLNHBXXJJPVSIX-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.27
Rot. Bonds11

About N-ethyl-1-(2-methylphenyl)decan-2-amine

N-ethyl-1-(2-methylphenyl)decan-2-amine (PubChem CID 63417244) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)decan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)decan-2-amine
PubChem CID63417244
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-ethyl-1-(2-methylphenyl)decan-2-amine
SMILESCCCCCCCCC(Cc1ccccc1C)NCC
InChIInChI=1S/C19H33N/c1-4-6-7-8-9-10-15-19(20-5-2)16-18-14-12-11-13-17(18)3/h11-14,19-20H,4-10,15-16H2,1-3H3
InChIKeySLNHBXXJJPVSIX-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.27
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-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)decan-2-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)decan-2-amine (CID 63417244) is N-ethyl-1-(2-methylphenyl)decan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)decan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)decan-2-amine is CCCCCCCCC(Cc1ccccc1C)NCC.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)decan-2-amine?
The InChIKey is SLNHBXXJJPVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-4-6-7-8-9-10-15-19(20-5-2)16-18-14-12-11-13-17(18)3/h11-14,19-20H,4-10,15-16H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)decan-2-amine?
N-ethyl-1-(2-methylphenyl)decan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)decan-2-amine is sourced from PubChem (CID 63417244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).