(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride

C20H27ClN2O2 — CID 159891151

IUPAC(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride
SMILESCOc1cccc([C@@H](C)NCC2CN(c3ccccc3)CCO2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-16(17-7-6-10-19(13-17)23-2)21-14-20-15-22(11-12-24-20)18-8-4-3-5-9-18;/h3-10,13,16,20-21H,11-12,14-15H2,1-2H3;1H/t16-,20?;/m1./s1
InChIKeyVUGWHKJJOUOCHC-SSEZRWRESA-N
MW362.90 g/mol
LogP3.67
Rot. Bonds6

About (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride

(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 159891151) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride
PubChem CID159891151
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride
SMILESCOc1cccc([C@@H](C)NCC2CN(c3ccccc3)CCO2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-16(17-7-6-10-19(13-17)23-2)21-14-20-15-22(11-12-24-20)18-8-4-3-5-9-18;/h3-10,13,16,20-21H,11-12,14-15H2,1-2H3;1H/t16-,20?;/m1./s1
InChIKeyVUGWHKJJOUOCHC-SSEZRWRESA-N
XLogP3.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
3-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709827
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81376644
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
4-[2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylbenzamide
CID 66551404

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride (CID 159891151) is (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride is COc1cccc([C@@H](C)NCC2CN(c3ccccc3)CCO2)c1.Cl.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is VUGWHKJJOUOCHC-SSEZRWRESA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-16(17-7-6-10-19(13-17)23-2)21-14-20-15-22(11-12-24-20)18-8-4-3-5-9-18;/h3-10,13,16,20-21H,11-12,14-15H2,1-2H3;1H/t16-,20?;/m1./s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride?
(1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-[(4-phenylmorpholin-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 159891151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).