2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride

C19H25Cl2NO3 — CID 2979607

IUPAC2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCCOc1c(Cl)cc(CNC(C)C(O)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C19H24ClNO3.ClH/c1-4-24-19-16(20)10-14(11-17(19)23-3)12-21-13(2)18(22)15-8-6-5-7-9-15;/h5-11,13,18,21-22H,4,12H2,1-3H3;1H
InChIKeyHSUQFMXEUXMYST-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.38
Rot. Bonds8

About 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride

2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 2979607) has the molecular formula C19H25Cl2NO3 and a molecular weight of 386.32 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID2979607
Molecular FormulaC19H25Cl2NO3
Molecular Weight386.32 g/mol
Exact Mass385.12
IUPAC Name2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCCOc1c(Cl)cc(CNC(C)C(O)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C19H24ClNO3.ClH/c1-4-24-19-16(20)10-14(11-17(19)23-3)12-21-13(2)18(22)15-8-6-5-7-9-15;/h5-11,13,18,21-22H,4,12H2,1-3H3;1H
InChIKeyHSUQFMXEUXMYST-UHFFFAOYSA-N
XLogP4.38
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4,5-diethoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 4727895
2-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-phenylpropan-1-ol;dihydrochloride
CID 17055983
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156057
(1S,2R)-2-[(3-chloro-5-methoxy-4-propoxyphenyl)methylamino]-1-(4-methoxyphenyl)propan-1-ol
CID 97328052
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 17211263
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
(2R)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylpentanoic acid
CID 99124104
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol
CID 17054532
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 4715541
(1R)-N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 51995684
N-[3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55891488

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 2979607) is 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is CCOc1c(Cl)cc(CNC(C)C(O)c2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is HSUQFMXEUXMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3.ClH/c1-4-24-19-16(20)10-14(11-17(19)23-3)12-21-13(2)18(22)15-8-6-5-7-9-15;/h5-11,13,18,21-22H,4,12H2,1-3H3;1H.
What are the key properties of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 386.32 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2979607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).