N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine

C12H16ClN — CID 142098945

IUPACN-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=CCN(CC)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClN/c1-3-8-14(4-2)10-11-6-5-7-12(13)9-11/h3,5-7,9H,1,4,8,10H2,2H3
InChIKeyAFAUTZVAENQEEF-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.35
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine

N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 142098945) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
PubChem CID142098945
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=CCN(CC)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClN/c1-3-8-14(4-2)10-11-6-5-7-12(13)9-11/h3,5-7,9H,1,4,8,10H2,2H3
InChIKeyAFAUTZVAENQEEF-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
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
1-[(3-chlorophenyl)methyl]-3-ethyl-1-methyl-2-prop-2-enylguanidine
CID 111305215
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
1-[(3-chlorophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111305491
N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 143498981
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine (CID 142098945) is N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine is C=CCN(CC)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is AFAUTZVAENQEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-3-8-14(4-2)10-11-6-5-7-12(13)9-11/h3,5-7,9H,1,4,8,10H2,2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine?
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.35, 5 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-ethylprop-2-en-1-amine is sourced from PubChem (CID 142098945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).