3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline

C14H21ClN2 — CID 43281893

IUPAC3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H21ClN2/c1-3-9-17(2)14-6-4-5-13(15)12(14)10-16-11-7-8-11/h4-6,11,16H,3,7-10H2,1-2H3
InChIKeyDSAHOXSZKTVKJR-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.44
Rot. Bonds6

About 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline

3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline (PubChem CID 43281893) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline.

Molecular Properties

Compound Name3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
PubChem CID43281893
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H21ClN2/c1-3-9-17(2)14-6-4-5-13(15)12(14)10-16-11-7-8-11/h4-6,11,16H,3,7-10H2,1-2H3
InChIKeyDSAHOXSZKTVKJR-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61431824
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
CID 63551219
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
3-chloro-N,2-dimethyl-N-propylaniline
CID 123602210
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
The IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline (CID 43281893) is 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline.
What is the SMILES notation for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
The canonical SMILES for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline is CCCN(C)c1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
The InChIKey is DSAHOXSZKTVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-9-17(2)14-6-4-5-13(15)12(14)10-16-11-7-8-11/h4-6,11,16H,3,7-10H2,1-2H3.
What are the key properties of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline?
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline is sourced from PubChem (CID 43281893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).