1-chloro-N-methyl-N-(2-phenylethyl)ethenamine

C11H14ClN — CID 91113083

IUPAC1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
SMILESC=C(Cl)N(C)CCc1ccccc1
InChIInChI=1S/C11H14ClN/c1-10(12)13(2)9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyNPKVGXDJCUKQNH-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.87
Rot. Bonds4

About 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine

1-chloro-N-methyl-N-(2-phenylethyl)ethenamine (PubChem CID 91113083) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
PubChem CID91113083
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
SMILESC=C(Cl)N(C)CCc1ccccc1
InChIInChI=1S/C11H14ClN/c1-10(12)13(2)9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyNPKVGXDJCUKQNH-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
N,2,2-trimethyl-N-(2-phenylethyl)propanethioamide
CID 12606841
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine?
The IUPAC name of 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine (CID 91113083) is 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine.
What is the SMILES notation for 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine?
The canonical SMILES for 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine is C=C(Cl)N(C)CCc1ccccc1.
What is the InChIKey of 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine?
The InChIKey is NPKVGXDJCUKQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-10(12)13(2)9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3.
What are the key properties of 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine?
1-chloro-N-methyl-N-(2-phenylethyl)ethenamine has a molecular weight of 195.69 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(2-phenylethyl)ethenamine is sourced from PubChem (CID 91113083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).