2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine

C19H26N2 — CID 43787294

IUPAC2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
SMILESCCCCC(Nc1ccccc1N(C)C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-4-5-13-17(16-11-7-6-8-12-16)20-18-14-9-10-15-19(18)21(2)3/h6-12,14-15,17,20H,4-5,13H2,1-3H3
InChIKeyIVICVOYYGYTCML-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.10
Rot. Bonds7

About 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine (PubChem CID 43787294) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
PubChem CID43787294
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
SMILESCCCCC(Nc1ccccc1N(C)C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-4-5-13-17(16-11-7-6-8-12-16)20-18-14-9-10-15-19(18)21(2)3/h6-12,14-15,17,20H,4-5,13H2,1-3H3
InChIKeyIVICVOYYGYTCML-UHFFFAOYSA-N
XLogP5.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
N-(1-phenylpentyl)-1H-indazol-7-amine
CID 43788123
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine (CID 43787294) is 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine is CCCCC(Nc1ccccc1N(C)C)c1ccccc1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine?
The InChIKey is IVICVOYYGYTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-5-13-17(16-11-7-6-8-12-16)20-18-14-9-10-15-19(18)21(2)3/h6-12,14-15,17,20H,4-5,13H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine is sourced from PubChem (CID 43787294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).