4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline

C17H18ClFN2 — CID 114850525

IUPAC4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
SMILESCN(c1cccc(F)c1)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C17H18ClFN2/c1-21(16-4-2-3-14(19)10-16)17-8-5-13(18)9-12(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11H2,1H3
InChIKeySSPVOHNHXZCSNM-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.50
Rot. Bonds5

About 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline

4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline (PubChem CID 114850525) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
PubChem CID114850525
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
SMILESCN(c1cccc(F)c1)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C17H18ClFN2/c1-21(16-4-2-3-14(19)10-16)17-8-5-13(18)9-12(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11H2,1H3
InChIKeySSPVOHNHXZCSNM-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-fluorophenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114850532
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
CID 114850424
5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 114926024
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
CID 43313811
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493
N-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 114848599
5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline (CID 114850525) is 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline is CN(c1cccc(F)c1)c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline?
The InChIKey is SSPVOHNHXZCSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c1-21(16-4-2-3-14(19)10-16)17-8-5-13(18)9-12(17)11-20-15-6-7-15/h2-5,8-10,15,20H,6-7,11H2,1H3.
What are the key properties of 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline?
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline has a molecular weight of 304.80 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 114850525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).