2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline

C15H25ClN2 — CID 63406140

IUPAC2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CN(CC)c1cccc(Cl)c1CN
InChIInChI=1S/C15H25ClN2/c1-4-12(5-2)11-18(6-3)15-9-7-8-14(16)13(15)10-17/h7-9,12H,4-6,10-11,17H2,1-3H3
InChIKeyVGZFAXSKMZLBAO-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.06
Rot. Bonds7

About 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline

2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline (PubChem CID 63406140) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
PubChem CID63406140
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CN(CC)c1cccc(Cl)c1CN
InChIInChI=1S/C15H25ClN2/c1-4-12(5-2)11-18(6-3)15-9-7-8-14(16)13(15)10-17/h7-9,12H,4-6,10-11,17H2,1-3H3
InChIKeyVGZFAXSKMZLBAO-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
CID 63510789
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
3-chloro-2-(chloromethyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79476970
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
CID 60789812
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 61445051
2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 55124839
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
N'-[2-(2-aminobutyl)-3-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998247
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
2-[ethyl(2-ethylbutyl)amino]benzenecarbothioamide
CID 61437567

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline (CID 63406140) is 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline is CCC(CC)CN(CC)c1cccc(Cl)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
The InChIKey is VGZFAXSKMZLBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-12(5-2)11-18(6-3)15-9-7-8-14(16)13(15)10-17/h7-9,12H,4-6,10-11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline?
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline has a molecular weight of 268.83 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline is sourced from PubChem (CID 63406140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).