(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol

C20H28N2O2 — CID 101347928

IUPAC(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol
SMILESCOc1cccc(CN[C@H](CO)CN(C)CCc2ccccc2)c1
InChIInChI=1S/C20H28N2O2/c1-22(12-11-17-7-4-3-5-8-17)15-19(16-23)21-14-18-9-6-10-20(13-18)24-2/h3-10,13,19,21,23H,11-12,14-16H2,1-2H3/t19-/m0/s1
InChIKeyMXKPFNBFPLOPLS-IBGZPJMESA-N
MW328.46 g/mol
LogP2.32
Rot. Bonds10

About (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol

(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol (PubChem CID 101347928) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol
PubChem CID101347928
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol
SMILESCOc1cccc(CN[C@H](CO)CN(C)CCc2ccccc2)c1
InChIInChI=1S/C20H28N2O2/c1-22(12-11-17-7-4-3-5-8-17)15-19(16-23)21-14-18-9-6-10-20(13-18)24-2/h3-10,13,19,21,23H,11-12,14-16H2,1-2H3/t19-/m0/s1
InChIKeyMXKPFNBFPLOPLS-IBGZPJMESA-N
XLogP2.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol
CID 122589547
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
3-amino-4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115241881
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
1-amino-1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 141047767
(2S)-3-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 122600778
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487404
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol (CID 101347928) is (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol is COc1cccc(CN[C@H](CO)CN(C)CCc2ccccc2)c1.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol?
The InChIKey is MXKPFNBFPLOPLS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N2O2/c1-22(12-11-17-7-4-3-5-8-17)15-19(16-23)21-14-18-9-6-10-20(13-18)24-2/h3-10,13,19,21,23H,11-12,14-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol?
(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol is sourced from PubChem (CID 101347928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).