2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine

C18H24N2 — CID 95479757

IUPAC2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
SMILESCC(C)C[C@H](C)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-11-7-8-12-18(17)20-16-9-5-4-6-10-16/h4-12,14-15,19-20H,13H2,1-3H3/t15-/m0/s1
InChIKeyQYMKLPYJMOMVNV-HNNXBMFYSA-N
MW268.40 g/mol
LogP5.28
Rot. Bonds6

About 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine

2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine (PubChem CID 95479757) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
PubChem CID95479757
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
SMILESCC(C)C[C@H](C)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-11-7-8-12-18(17)20-16-9-5-4-6-10-16/h4-12,14-15,19-20H,13H2,1-3H3/t15-/m0/s1
InChIKeyQYMKLPYJMOMVNV-HNNXBMFYSA-N
XLogP5.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine
CID 171819508
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
methyl 3-[2-anilino-6-(4-methylpentan-2-ylamino)phenyl]sulfanylpropanoate
CID 3770555
2-(8-methylnonan-2-yl)-1-N-(4-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
CID 142760344
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine;octadecanoic acid
CID 158324844
4-N-phenylpentane-2,4-diamine
CID 156531414
2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714083

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine (CID 95479757) is 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine is CC(C)C[C@H](C)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine?
The InChIKey is QYMKLPYJMOMVNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-11-7-8-12-18(17)20-16-9-5-4-6-10-16/h4-12,14-15,19-20H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine?
2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 95479757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).