2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline

C15H25FN2 — CID 63785632

IUPAC2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CC(C)N)C(C)C
InChIInChI=1S/C15H25FN2/c1-5-8-18(11(2)3)15-7-6-14(16)10-13(15)9-12(4)17/h6-7,10-12H,5,8-9,17H2,1-4H3
InChIKeyDSCAZGLOWCSUKE-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline

2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline (PubChem CID 63785632) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
PubChem CID63785632
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(F)cc1CC(C)N)C(C)C
InChIInChI=1S/C15H25FN2/c1-5-8-18(11(2)3)15-7-6-14(16)10-13(15)9-12(4)17/h6-7,10-12H,5,8-9,17H2,1-4H3
InChIKeyDSCAZGLOWCSUKE-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
CID 63816560
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
The IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline (CID 63785632) is 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline is CCCN(c1ccc(F)cc1CC(C)N)C(C)C.
What is the InChIKey of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
The InChIKey is DSCAZGLOWCSUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-8-18(11(2)3)15-7-6-14(16)10-13(15)9-12(4)17/h6-7,10-12H,5,8-9,17H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline?
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline has a molecular weight of 252.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 63785632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).