4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline

C17H21FN2 — CID 63816152

IUPAC4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
SMILESCc1cc(N(C)c2ccc(F)cc2)ccc1CC(C)N
InChIInChI=1S/C17H21FN2/c1-12-10-17(7-4-14(12)11-13(2)19)20(3)16-8-5-15(18)6-9-16/h4-10,13H,11,19H2,1-3H3
InChIKeyBFSXJVJBYFOZKN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.79
Rot. Bonds4

About 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline

4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline (PubChem CID 63816152) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
PubChem CID63816152
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
SMILESCc1cc(N(C)c2ccc(F)cc2)ccc1CC(C)N
InChIInChI=1S/C17H21FN2/c1-12-10-17(7-4-14(12)11-13(2)19)20(3)16-8-5-15(18)6-9-16/h4-10,13H,11,19H2,1-3H3
InChIKeyBFSXJVJBYFOZKN-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
CID 63794504
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
CID 105418560
4-(2-aminopropyl)-N,3-dimethylaniline
CID 10035180
4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline
CID 63815657
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline (CID 63816152) is 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline is Cc1cc(N(C)c2ccc(F)cc2)ccc1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline?
The InChIKey is BFSXJVJBYFOZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-10-17(7-4-14(12)11-13(2)19)20(3)16-8-5-15(18)6-9-16/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline?
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline is sourced from PubChem (CID 63816152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).