2-methyl-4-phenylbutane-1,3-diamine

C11H18N2 — CID 20848308

IUPAC2-methyl-4-phenylbutane-1,3-diamine
SMILESCC(CN)C(N)Cc1ccccc1
InChIInChI=1S/C11H18N2/c1-9(8-12)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,12-13H2,1H3
InChIKeyRLTAONQWHNZIEI-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-4-phenylbutane-1,3-diamine

2-methyl-4-phenylbutane-1,3-diamine (PubChem CID 20848308) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-4-phenylbutane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-4-phenylbutane-1,3-diamine
PubChem CID20848308
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-4-phenylbutane-1,3-diamine
SMILESCC(CN)C(N)Cc1ccccc1
InChIInChI=1S/C11H18N2/c1-9(8-12)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,12-13H2,1H3
InChIKeyRLTAONQWHNZIEI-UHFFFAOYSA-N
XLogP1.15
TPSA52.04 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
4-methoxy-3-methyl-1-phenylbutan-2-amine
CID 115625025
2-methyl-3-phenylpropan-1-amine
CID 12672558
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(5S)-5-methyl-6-phenylhexane-1,4-diamine
CID 90974267
azane;1-phenylpropan-2-amine
CID 67350534
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
2-benzyl-3-methylbutan-1-amine
CID 59900587
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
3,4-diamino-1-phenylbutan-2-ol
CID 66646271
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylbutane-1,3-diamine?
The IUPAC name of 2-methyl-4-phenylbutane-1,3-diamine (CID 20848308) is 2-methyl-4-phenylbutane-1,3-diamine.
What is the SMILES notation for 2-methyl-4-phenylbutane-1,3-diamine?
The canonical SMILES for 2-methyl-4-phenylbutane-1,3-diamine is CC(CN)C(N)Cc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylbutane-1,3-diamine?
The InChIKey is RLTAONQWHNZIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(8-12)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,12-13H2,1H3.
What are the key properties of 2-methyl-4-phenylbutane-1,3-diamine?
2-methyl-4-phenylbutane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylbutane-1,3-diamine is sourced from PubChem (CID 20848308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).