4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline

C16H19ClN2 — CID 81166461

IUPAC4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2ccc(CCN)cc2Cl)c1
InChIInChI=1S/C16H19ClN2/c1-12-4-3-5-14(10-12)19(2)16-7-6-13(8-9-18)11-15(16)17/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyVSUCFQCVKHPEOP-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.92
Rot. Bonds4

About 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline

4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline (PubChem CID 81166461) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
PubChem CID81166461
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2ccc(CCN)cc2Cl)c1
InChIInChI=1S/C16H19ClN2/c1-12-4-3-5-14(10-12)19(2)16-7-6-13(8-9-18)11-15(16)17/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyVSUCFQCVKHPEOP-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(bromomethyl)phenyl]-2-chloro-N,4-dimethylaniline
CID 164602194
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984280
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline (CID 81166461) is 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline is Cc1cccc(N(C)c2ccc(CCN)cc2Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline?
The InChIKey is VSUCFQCVKHPEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-4-3-5-14(10-12)19(2)16-7-6-13(8-9-18)11-15(16)17/h3-7,10-11H,8-9,18H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline?
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline has a molecular weight of 274.80 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 81166461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).