(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine

C13H21NO — CID 12051472

IUPAC(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
SMILESCO[C@H](c1ccccc1)[C@@H](N)CC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9,14H2,1-3H3/t12-,13+/m0/s1
InChIKeyDMIKQUXZPDUETQ-QWHCGFSZSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds5

About (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine

(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine (PubChem CID 12051472) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
PubChem CID12051472
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
SMILESCO[C@H](c1ccccc1)[C@@H](N)CC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9,14H2,1-3H3/t12-,13+/m0/s1
InChIKeyDMIKQUXZPDUETQ-QWHCGFSZSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767
1-methoxy-1-phenyl-3-propoxypropan-2-amine
CID 116773005
1-methoxy-4-methylsulfonyl-1-phenylbutan-2-amine
CID 116772803
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
CID 103049191
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
CID 10400953
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
2-methoxy-4-phenylpentan-1-amine
CID 66072374
O-(2-amino-1-phenylpropyl)hydroxylamine
CID 54305698

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine?
The IUPAC name of (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine (CID 12051472) is (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine.
What is the SMILES notation for (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine?
The canonical SMILES for (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine is CO[C@H](c1ccccc1)[C@@H](N)CC(C)C.
What is the InChIKey of (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine?
The InChIKey is DMIKQUXZPDUETQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9,14H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine?
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine is sourced from PubChem (CID 12051472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).