N-[(3-chlorophenyl)methyl]-N-ethylethanamine

C11H16ClN — CID 21325551

IUPACN-[(3-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClN/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChIKeyFSVXDYPLQHBKFT-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-ethylethanamine

N-[(3-chlorophenyl)methyl]-N-ethylethanamine (PubChem CID 21325551) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethylethanamine
PubChem CID21325551
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClN/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChIKeyFSVXDYPLQHBKFT-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
CID 142098945
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 46934127
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
CID 43435845
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
3-(diethylaminomethyl)benzenesulfonyl chloride
CID 43363694

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethylethanamine (CID 21325551) is N-[(3-chlorophenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethylethanamine?
The InChIKey is FSVXDYPLQHBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethylethanamine?
N-[(3-chlorophenyl)methyl]-N-ethylethanamine has a molecular weight of 197.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 21325551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).