2-methyl-3-N-phenylbutane-2,3-diamine

C11H18N2 — CID 68860304

IUPAC2-methyl-3-N-phenylbutane-2,3-diamine
SMILESCC(Nc1ccccc1)C(C)(C)N
InChIInChI=1S/C11H18N2/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h4-9,13H,12H2,1-3H3
InChIKeyPSMRWJQAKGMZCN-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-3-N-phenylbutane-2,3-diamine

2-methyl-3-N-phenylbutane-2,3-diamine (PubChem CID 68860304) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-3-N-phenylbutane-2,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-phenylbutane-2,3-diamine
PubChem CID68860304
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-3-N-phenylbutane-2,3-diamine
SMILESCC(Nc1ccccc1)C(C)(C)N
InChIInChI=1S/C11H18N2/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h4-9,13H,12H2,1-3H3
InChIKeyPSMRWJQAKGMZCN-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
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N',N"-diphenylmethanetriamine
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1-N-methyl-1-N'-phenylethane-1,1-diamine
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1-anilinoethanol;hydrate
CID 173450384
N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
CID 66545590
N-(2,2-dimethyl-1-phenylpropyl)aniline
CID 11402191
2-anilino-3,3-dimethylbutanamide
CID 61324562
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
(2R)-2-anilinopropanoate
CID 6946450
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
2-anilinopropanoate
CID 19754798
4-N-phenylpentane-2,4-diamine
CID 156531414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-phenylbutane-2,3-diamine?
The IUPAC name of 2-methyl-3-N-phenylbutane-2,3-diamine (CID 68860304) is 2-methyl-3-N-phenylbutane-2,3-diamine.
What is the SMILES notation for 2-methyl-3-N-phenylbutane-2,3-diamine?
The canonical SMILES for 2-methyl-3-N-phenylbutane-2,3-diamine is CC(Nc1ccccc1)C(C)(C)N.
What is the InChIKey of 2-methyl-3-N-phenylbutane-2,3-diamine?
The InChIKey is PSMRWJQAKGMZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h4-9,13H,12H2,1-3H3.
What are the key properties of 2-methyl-3-N-phenylbutane-2,3-diamine?
2-methyl-3-N-phenylbutane-2,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-phenylbutane-2,3-diamine is sourced from PubChem (CID 68860304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).