(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol

C20H27NO2 — CID 11301457

IUPAC(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
SMILESCCC[C@H](CNCc1ccc(OC)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-7-18(20(22)17-8-5-4-6-9-17)15-21-14-16-10-12-19(23-2)13-11-16/h4-6,8-13,18,20-22H,3,7,14-15H2,1-2H3/t18-,20-/m1/s1
InChIKeyMRYBTPZPQPUGDZ-UYAOXDASSA-N
MW313.44 g/mol
LogP3.93
Rot. Bonds9

About (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol

(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol (PubChem CID 11301457) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
PubChem CID11301457
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
SMILESCCC[C@H](CNCc1ccc(OC)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-7-18(20(22)17-8-5-4-6-9-17)15-21-14-16-10-12-19(23-2)13-11-16/h4-6,8-13,18,20-22H,3,7,14-15H2,1-2H3/t18-,20-/m1/s1
InChIKeyMRYBTPZPQPUGDZ-UYAOXDASSA-N
XLogP3.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
1-phenyl-2-propylpentan-1-ol
CID 82987900
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
CID 125467735
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol?
The IUPAC name of (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol (CID 11301457) is (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol.
What is the SMILES notation for (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol?
The canonical SMILES for (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol is CCC[C@H](CNCc1ccc(OC)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol?
The InChIKey is MRYBTPZPQPUGDZ-UYAOXDASSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-7-18(20(22)17-8-5-4-6-9-17)15-21-14-16-10-12-19(23-2)13-11-16/h4-6,8-13,18,20-22H,3,7,14-15H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol?
(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol is sourced from PubChem (CID 11301457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).