N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine

C19H22Cl2N2O — CID 78823600

IUPACN-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESClc1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H22Cl2N2O/c20-17-7-6-15(12-18(17)21)13-22-19(16-4-2-1-3-5-16)14-23-8-10-24-11-9-23/h1-7,12,19,22H,8-11,13-14H2
InChIKeyWOMJXMIODHOECJ-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.16
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine

N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine (PubChem CID 78823600) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
PubChem CID78823600
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESClc1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H22Cl2N2O/c20-17-7-6-15(12-18(17)21)13-22-19(16-4-2-1-3-5-16)14-23-8-10-24-11-9-23/h1-7,12,19,22H,8-11,13-14H2
InChIKeyWOMJXMIODHOECJ-UHFFFAOYSA-N
XLogP4.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78825398
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 112804329
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 86879709
N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849601
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 97333489
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
(1S)-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265451
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
CID 138994630
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9451764
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine (CID 78823600) is N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine is Clc1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The InChIKey is WOMJXMIODHOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c20-17-7-6-15(12-18(17)21)13-22-19(16-4-2-1-3-5-16)14-23-8-10-24-11-9-23/h1-7,12,19,22H,8-11,13-14H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine has a molecular weight of 365.30 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine is sourced from PubChem (CID 78823600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).