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

C13H18ClN — CID 91053808

IUPAC3-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-2-8-15(10-11-6-7-11)13-5-3-4-12(14)9-13/h3-5,9,11H,2,6-8,10H2,1H3
InChIKeyONAKTQFMCGZIDN-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.97
Rot. Bonds5

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

3-chloro-N-(cyclopropylmethyl)-N-propylaniline (PubChem CID 91053808) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-N-propylaniline.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-N-propylaniline
PubChem CID91053808
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-2-8-15(10-11-6-7-11)13-5-3-4-12(14)9-13/h3-5,9,11H,2,6-8,10H2,1H3
InChIKeyONAKTQFMCGZIDN-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 63587069
1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
CID 60679704
2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 61445051
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
CID 63816141
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 114849135
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-propylaniline (CID 91053808) is 3-chloro-N-(cyclopropylmethyl)-N-propylaniline.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-N-propylaniline is CCCN(CC1CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The InChIKey is ONAKTQFMCGZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-8-15(10-11-6-7-11)13-5-3-4-12(14)9-13/h3-5,9,11H,2,6-8,10H2,1H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
3-chloro-N-(cyclopropylmethyl)-N-propylaniline has a molecular weight of 223.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-N-propylaniline is sourced from PubChem (CID 91053808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).