2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline

C14H21ClN2 — CID 61445051

IUPAC2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H21ClN2/c1-2-8-17(10-11-6-7-11)14-5-3-4-13(15)12(14)9-16/h3-5,11H,2,6-10,16H2,1H3
InChIKeyCVVJMPWWRODZNK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.43
Rot. Bonds6

About 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline

2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline (PubChem CID 61445051) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
PubChem CID61445051
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H21ClN2/c1-2-8-17(10-11-6-7-11)14-5-3-4-13(15)12(14)9-16/h3-5,11H,2,6-10,16H2,1H3
InChIKeyCVVJMPWWRODZNK-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 91053808
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 63587069
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140
2-bromo-6-[cyclopropylmethyl(propyl)amino]benzenecarbothioamide
CID 114882090
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 107081391

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline (CID 61445051) is 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline is CCCN(CC1CC1)c1cccc(Cl)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The InChIKey is CVVJMPWWRODZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-8-17(10-11-6-7-11)14-5-3-4-13(15)12(14)9-16/h3-5,11H,2,6-10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.43, 6 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-(cyclopropylmethyl)-N-propylaniline is sourced from PubChem (CID 61445051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).