(2R)-4-methyl-6-phenylhexane-2,4-diamine

C13H22N2 — CID 70295340

IUPAC(2R)-4-methyl-6-phenylhexane-2,4-diamine
SMILESC[C@@H](N)CC(C)(N)CCc1ccccc1
InChIInChI=1S/C13H22N2/c1-11(14)10-13(2,15)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10,14-15H2,1-2H3/t11-,13?/m1/s1
InChIKeyGQLWTJFRUAIFMR-JTDNENJMSA-N
MW206.33 g/mol
LogP2.07
Rot. Bonds5

About (2R)-4-methyl-6-phenylhexane-2,4-diamine

(2R)-4-methyl-6-phenylhexane-2,4-diamine (PubChem CID 70295340) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R)-4-methyl-6-phenylhexane-2,4-diamine.

Molecular Properties

Compound Name(2R)-4-methyl-6-phenylhexane-2,4-diamine
PubChem CID70295340
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2R)-4-methyl-6-phenylhexane-2,4-diamine
SMILESC[C@@H](N)CC(C)(N)CCc1ccccc1
InChIInChI=1S/C13H22N2/c1-11(14)10-13(2,15)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10,14-15H2,1-2H3/t11-,13?/m1/s1
InChIKeyGQLWTJFRUAIFMR-JTDNENJMSA-N
XLogP2.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-phenylheptan-3-amine
CID 121493813
(2S)-4-phenylbutan-2-amine
CID 6994564
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
1,1-diamino-3-phenylpropane-1-thiol
CID 139890892
2-aminopropan-1-ol;2-phenylethanol
CID 174837900
3-methyl-1-phenylhex-4-en-3-amine
CID 174938093
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2-(4-methylphenyl)-4-phenylbutan-2-amine
CID 60797705
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-6-phenylhexane-2,4-diamine?
The IUPAC name of (2R)-4-methyl-6-phenylhexane-2,4-diamine (CID 70295340) is (2R)-4-methyl-6-phenylhexane-2,4-diamine.
What is the SMILES notation for (2R)-4-methyl-6-phenylhexane-2,4-diamine?
The canonical SMILES for (2R)-4-methyl-6-phenylhexane-2,4-diamine is C[C@@H](N)CC(C)(N)CCc1ccccc1.
What is the InChIKey of (2R)-4-methyl-6-phenylhexane-2,4-diamine?
The InChIKey is GQLWTJFRUAIFMR-JTDNENJMSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(14)10-13(2,15)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10,14-15H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (2R)-4-methyl-6-phenylhexane-2,4-diamine?
(2R)-4-methyl-6-phenylhexane-2,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-6-phenylhexane-2,4-diamine is sourced from PubChem (CID 70295340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).