2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine

C13H20ClNO — CID 112508549

IUPAC2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCN(CC)C(CCl)c1cccc(OC)c1
InChIInChI=1S/C13H20ClNO/c1-4-15(5-2)13(10-14)11-7-6-8-12(9-11)16-3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyGUKKWMBSGTYVNL-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.32
Rot. Bonds6

About 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine

2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 112508549) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine
PubChem CID112508549
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCN(CC)C(CCl)c1cccc(OC)c1
InChIInChI=1S/C13H20ClNO/c1-4-15(5-2)13(10-14)11-7-6-8-12(9-11)16-3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyGUKKWMBSGTYVNL-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.32
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

(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
3-chloro-1-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 116907619
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942362
N-chloro-N-[(1R)-2-chloro-1-(3-methoxyphenyl)ethyl]triazin-4-amine
CID 87322270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine (CID 112508549) is 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine is CCN(CC)C(CCl)c1cccc(OC)c1.
What is the InChIKey of 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is GUKKWMBSGTYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-15(5-2)13(10-14)11-7-6-8-12(9-11)16-3/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine?
2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 112508549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).