2-(2,5-dimethylphenyl)dodecan-2-amine

C20H35N — CID 63411602

IUPAC2-(2,5-dimethylphenyl)dodecan-2-amine
SMILESCCCCCCCCCCC(C)(N)c1cc(C)ccc1C
InChIInChI=1S/C20H35N/c1-5-6-7-8-9-10-11-12-15-20(4,21)19-16-17(2)13-14-18(19)3/h13-14,16H,5-12,15,21H2,1-4H3
InChIKeyOJJLOUCHTUUPOM-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.01
Rot. Bonds10

About 2-(2,5-dimethylphenyl)dodecan-2-amine

2-(2,5-dimethylphenyl)dodecan-2-amine (PubChem CID 63411602) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)dodecan-2-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)dodecan-2-amine
PubChem CID63411602
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-(2,5-dimethylphenyl)dodecan-2-amine
SMILESCCCCCCCCCCC(C)(N)c1cc(C)ccc1C
InChIInChI=1S/C20H35N/c1-5-6-7-8-9-10-11-12-15-20(4,21)19-16-17(2)13-14-18(19)3/h13-14,16H,5-12,15,21H2,1-4H3
InChIKeyOJJLOUCHTUUPOM-UHFFFAOYSA-N
XLogP6.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.01
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

2-tert-butyl-1,4-dimethylbenzene;pentane
CID 142249583
(3S)-3-amino-3-(2,5-dimethylphenyl)butanenitrile
CID 131182474
4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
CID 116861683
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
2-(2-docosylphenyl)tetracosan-2-amine
CID 89487184
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 55186203
2-phenyldecan-2-amine
CID 63408050
1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene
CID 134457118
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
2-phenylicosan-2-amine;hydrochloride
CID 173065845
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
4-(2,5-dimethylphenyl)-5-methyldodecan-5-ol
CID 54143464

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)dodecan-2-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)dodecan-2-amine (CID 63411602) is 2-(2,5-dimethylphenyl)dodecan-2-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)dodecan-2-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)dodecan-2-amine is CCCCCCCCCCC(C)(N)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)dodecan-2-amine?
The InChIKey is OJJLOUCHTUUPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-6-7-8-9-10-11-12-15-20(4,21)19-16-17(2)13-14-18(19)3/h13-14,16H,5-12,15,21H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)dodecan-2-amine?
2-(2,5-dimethylphenyl)dodecan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)dodecan-2-amine is sourced from PubChem (CID 63411602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).