2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline

C16H18ClFN2 — CID 63815822

IUPAC2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
SMILESCC(N)Cc1c(Cl)cccc1N(C)c1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-11(19)10-12-13(17)6-5-9-15(12)20(2)16-8-4-3-7-14(16)18/h3-9,11H,10,19H2,1-2H3
InChIKeyIICJECPIBDXZFT-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline

2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline (PubChem CID 63815822) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
PubChem CID63815822
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
SMILESCC(N)Cc1c(Cl)cccc1N(C)c1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-11(19)10-12-13(17)6-5-9-15(12)20(2)16-8-4-3-7-14(16)18/h3-9,11H,10,19H2,1-2H3
InChIKeyIICJECPIBDXZFT-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 107082621
2-(2-aminopropyl)-3-chloro-N-(4-methoxyphenyl)-N-methylaniline
CID 63815282
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
N'-[2-(2-aminopropyl)-3-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63816000
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
2-(2-aminopropyl)-N-butan-2-yl-N-ethyl-3-fluoroaniline
CID 114065954
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-(2-butan-2-ylsulfanyl-6-chlorophenyl)propan-2-amine
CID 63835456

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline (CID 63815822) is 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline is CC(N)Cc1c(Cl)cccc1N(C)c1ccccc1F.
What is the InChIKey of 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline?
The InChIKey is IICJECPIBDXZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(19)10-12-13(17)6-5-9-15(12)20(2)16-8-4-3-7-14(16)18/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline?
2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline has a molecular weight of 292.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 63815822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).