(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol

C18H23NO — CID 40768444

IUPAC(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
SMILESC[C@H](CN(C)C[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-15(16-9-5-3-6-10-16)13-19(2)14-18(20)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyZKISNMZYDPWJGZ-CRAIPNDOSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds6

About (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol

(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol (PubChem CID 40768444) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
PubChem CID40768444
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
SMILESC[C@H](CN(C)C[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-15(16-9-5-3-6-10-16)13-19(2)14-18(20)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyZKISNMZYDPWJGZ-CRAIPNDOSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
2-[amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499
2-[methyl(2-phenylpropyl)amino]ethyl acetate
CID 24838009
[1-hydroxy-3-[methyl(2-phenylpropyl)amino]propyl] acetate;hydrochloride
CID 3031007
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol?
The IUPAC name of (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol (CID 40768444) is (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol is C[C@H](CN(C)C[C@@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol?
The InChIKey is ZKISNMZYDPWJGZ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(16-9-5-3-6-10-16)13-19(2)14-18(20)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol?
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol has a molecular weight of 269.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol is sourced from PubChem (CID 40768444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).