(2R)-3-methyl-1-N-phenylbutane-1,2-diamine

C11H18N2 — CID 89354678

IUPAC(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
SMILESCC(C)[C@@H](N)CNc1ccccc1
InChIInChI=1S/C11H18N2/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11,13H,8,12H2,1-2H3/t11-/m0/s1
InChIKeyHKNUVVMDKARPEP-NSHDSACASA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds4

About (2R)-3-methyl-1-N-phenylbutane-1,2-diamine

(2R)-3-methyl-1-N-phenylbutane-1,2-diamine (PubChem CID 89354678) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2R)-3-methyl-1-N-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
PubChem CID89354678
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
SMILESCC(C)[C@@H](N)CNc1ccccc1
InChIInChI=1S/C11H18N2/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11,13H,8,12H2,1-2H3/t11-/m0/s1
InChIKeyHKNUVVMDKARPEP-NSHDSACASA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-methyl-1-N-phenylpentane-1,3-diamine
CID 71530639
1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 83955072
1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
3-methyl-1-N-(4-propan-2-yloxyphenyl)butane-1,2-diamine
CID 83945808
1-N-(4-ethoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961932
1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
CID 83962526
N-(2-bromopropyl)aniline
CID 13183607
1-amino-2-anilinoethanol
CID 54286676
N-(2-methylsulfonylpropyl)aniline
CID 104519124
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
N-(2-methylsulfanylpropyl)aniline
CID 62582287

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-N-phenylbutane-1,2-diamine?
The IUPAC name of (2R)-3-methyl-1-N-phenylbutane-1,2-diamine (CID 89354678) is (2R)-3-methyl-1-N-phenylbutane-1,2-diamine.
What is the SMILES notation for (2R)-3-methyl-1-N-phenylbutane-1,2-diamine?
The canonical SMILES for (2R)-3-methyl-1-N-phenylbutane-1,2-diamine is CC(C)[C@@H](N)CNc1ccccc1.
What is the InChIKey of (2R)-3-methyl-1-N-phenylbutane-1,2-diamine?
The InChIKey is HKNUVVMDKARPEP-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11,13H,8,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-3-methyl-1-N-phenylbutane-1,2-diamine?
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-N-phenylbutane-1,2-diamine is sourced from PubChem (CID 89354678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).