N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride

C20H27ClN2O — CID 54600904

IUPACN-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
SMILESCN(CCN1CCOCC1)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21(12-13-22-14-16-23-17-15-22)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H
InChIKeyWRXULKAMVRXFEZ-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.46
Rot. Bonds6

About N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride

N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride (PubChem CID 54600904) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
PubChem CID54600904
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
SMILESCN(CCN1CCOCC1)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21(12-13-22-14-16-23-17-15-22)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H
InChIKeyWRXULKAMVRXFEZ-UHFFFAOYSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 21152560
CID 21152560
(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97203147
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CID 143114202
(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97207749
2-N-methyl-2-N-(2-morpholin-4-ylethyl)propane-1,2-diamine;dihydrochloride
CID 119924809
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
CID 117066717
2-(3-morpholin-4-yl-1-phenylpropyl)phenol
CID 567625
[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethanamine;dihydrochloride
CID 12805085
N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
CID 118585226
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
3-[N-(2-morpholin-4-ylethyl)anilino]propan-1-ol
CID 111543585

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride?
The IUPAC name of N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride (CID 54600904) is N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride.
What is the SMILES notation for N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride?
The canonical SMILES for N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride is CN(CCN1CCOCC1)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride?
The InChIKey is WRXULKAMVRXFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-21(12-13-22-14-16-23-17-15-22)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H.
What are the key properties of N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride?
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride is sourced from PubChem (CID 54600904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).