(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine

C17H21NO — CID 35753956

IUPAC(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
SMILESCc1ccccc1COC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)12-19-13-17(18)11-15-8-3-2-4-9-15/h2-10,17H,11-13,18H2,1H3/t17-/m0/s1
InChIKeyNBUJXGZNTQGTDP-KRWDZBQOSA-N
MW255.36 g/mol
LogP3.08
Rot. Bonds6

About (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine

(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine (PubChem CID 35753956) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
PubChem CID35753956
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
SMILESCc1ccccc1COC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)12-19-13-17(18)11-15-8-3-2-4-9-15/h2-10,17H,11-13,18H2,1H3/t17-/m0/s1
InChIKeyNBUJXGZNTQGTDP-KRWDZBQOSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
methyl 2-[(2-amino-3-phenylpropoxy)methyl]benzoate
CID 138110870
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
CID 112500895
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate
CID 66837240
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate;hydrochloride
CID 86698259
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine (CID 35753956) is (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine is Cc1ccccc1COC[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine?
The InChIKey is NBUJXGZNTQGTDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-7-5-6-10-16(14)12-19-13-17(18)11-15-8-3-2-4-9-15/h2-10,17H,11-13,18H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine?
(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 35753956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).