(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

C19H24ClNO3 — CID 40726440

IUPAC(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO3/c1-3-17(12-22)21-11-15-5-4-6-18(23-2)19(15)24-13-14-7-9-16(20)10-8-14/h4-10,17,21-22H,3,11-13H2,1-2H3/t17-/m0/s1
InChIKeySYNWNJLMFGJBPI-KRWDZBQOSA-N
MW349.86 g/mol
LogP3.79
Rot. Bonds9

About (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 40726440) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
PubChem CID40726440
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO3/c1-3-17(12-22)21-11-15-5-4-6-18(23-2)19(15)24-13-14-7-9-16(20)10-8-14/h4-10,17,21-22H,3,11-13H2,1-2H3/t17-/m0/s1
InChIKeySYNWNJLMFGJBPI-KRWDZBQOSA-N
XLogP3.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29186553
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183
2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 17054600
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17054714
(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 27236202
2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (CID 40726440) is (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is SYNWNJLMFGJBPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-3-17(12-22)21-11-15-5-4-6-18(23-2)19(15)24-13-14-7-9-16(20)10-8-14/h4-10,17,21-22H,3,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 349.86 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 40726440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).