4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline

C17H20ClFN2 — CID 63817189

IUPAC4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)Cc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C17H20ClFN2/c1-12(20)8-13-6-7-17(16(19)10-13)21(2)11-14-4-3-5-15(18)9-14/h3-7,9-10,12H,8,11,20H2,1-2H3
InChIKeyDHYNEEMHDZYAEE-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.01
Rot. Bonds5

About 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline

4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline (PubChem CID 63817189) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
PubChem CID63817189
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)Cc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C17H20ClFN2/c1-12(20)8-13-6-7-17(16(19)10-13)21(2)11-14-4-3-5-15(18)9-14/h3-7,9-10,12H,8,11,20H2,1-2H3
InChIKeyDHYNEEMHDZYAEE-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114861661
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline (CID 63817189) is 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline is CC(N)Cc1ccc(N(C)Cc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The InChIKey is DHYNEEMHDZYAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-12(20)8-13-6-7-17(16(19)10-13)21(2)11-14-4-3-5-15(18)9-14/h3-7,9-10,12H,8,11,20H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline has a molecular weight of 306.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 63817189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).