3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline

C16H19ClN2 — CID 43459137

IUPAC3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-2-19(11-13-5-3-7-15(17)9-13)12-14-6-4-8-16(18)10-14/h3-10H,2,11-12,18H2,1H3
InChIKeyZAOQDMSJRHUZCC-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.94
Rot. Bonds5

About 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline

3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline (PubChem CID 43459137) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
PubChem CID43459137
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-2-19(11-13-5-3-7-15(17)9-13)12-14-6-4-8-16(18)10-14/h3-10H,2,11-12,18H2,1H3
InChIKeyZAOQDMSJRHUZCC-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
3-[[(4-chloro-3-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 107881986
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
N-[(3-chlorophenyl)methyl]-N-ethylprop-2-en-1-amine
CID 142098945
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
3-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612
3-[[(2,4-dichlorophenyl)methyl-propylamino]methyl]aniline
CID 43459758
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline?
The IUPAC name of 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline (CID 43459137) is 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline.
What is the SMILES notation for 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline?
The canonical SMILES for 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline is CCN(Cc1cccc(N)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline?
The InChIKey is ZAOQDMSJRHUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-19(11-13-5-3-7-15(17)9-13)12-14-6-4-8-16(18)10-14/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline?
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline has a molecular weight of 274.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline is sourced from PubChem (CID 43459137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).