(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol

C18H24N2O2 — CID 42629242

IUPAC(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyWGKLCHBGQMKIIW-MSOLQXFVSA-N
MW300.40 g/mol
LogP2.45
Rot. Bonds7

About (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol

(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 42629242) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID42629242
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyWGKLCHBGQMKIIW-MSOLQXFVSA-N
XLogP2.45
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24900270
3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
CID 24900022
3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol
CID 24896804
(1R,2S)-3-amino-1-(4-chloro-N-methylanilino)-1-(4-methoxyphenyl)propan-2-ol
CID 24897265
3-(4-chloro-N-methylanilino)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 68546798
3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
CID 23458382
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
(2R,3R)-3-[(4-methoxyphenyl)methyl-prop-2-enylamino]-3-phenylpropane-1,2-diol
CID 11823617
N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 70530947
(2R,3S)-N-benzyl-3-(N-benzyl-4-methoxyanilino)-2-hydroxy-3-phenylpropanamide
CID 102091035
2-(N-benzhydryl-4-methoxyanilino)ethanol
CID 67427582

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol (CID 42629242) is (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(OC)cc1.
What is the InChIKey of (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is WGKLCHBGQMKIIW-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
(1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(4-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 42629242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).