N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine

C18H22ClNO — CID 97355356

IUPACN-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine
SMILESCOCCN(CCCl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-21-15-14-20(13-12-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyNXTHGCJRKJOEMI-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.96
Rot. Bonds8

About N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine

N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine (PubChem CID 97355356) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine
PubChem CID97355356
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine
SMILESCOCCN(CCCl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-21-15-14-20(13-12-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyNXTHGCJRKJOEMI-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-Chloroethyl)dibenzylamine
CID 5820
1-(1-Phenylcyclohexyl)morpholine hydrochloride
CID 121542
N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 118711483
4-(1,2-Diphenylethyl)morpholine
CID 281037
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372
N-(2-Chloroethyl)-N-ethyl-alpha-phenylbenzylamine hydrochloride
CID 22260
4-(1-Phenylethyl)morpholine--hydrogen chloride (1/1)
CID 3057369
4-Benzyl-3-chloromethyl-morpholine
CID 13774070
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
1-(1-Phenylcyclohexyl)morpholine
CID 121543
Morpholine, 4-(1-phenylethyl)-
CID 600557
(S)-(+)-2-(Dibenzylamino)-1-propanol
CID 11436768

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine?
The IUPAC name of N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine (CID 97355356) is N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine.
What is the SMILES notation for N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine?
The canonical SMILES for N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine is COCCN(CCCl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine?
The InChIKey is NXTHGCJRKJOEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-21-15-14-20(13-12-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3.
What are the key properties of N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine?
N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine has a molecular weight of 303.83 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-(2-chloroethyl)-2-methoxyethanamine is sourced from PubChem (CID 97355356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).