1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine

C12H17FN2 — CID 150062889

IUPAC1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
SMILESNCc1ccc(C(N)CC2CC2)cc1F
InChIInChI=1S/C12H17FN2/c13-11-6-9(3-4-10(11)7-14)12(15)5-8-1-2-8/h3-4,6,8,12H,1-2,5,7,14-15H2
InChIKeyDNQWSVJHBAVVBD-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.08
Rot. Bonds4

About 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine

1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine (PubChem CID 150062889) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
PubChem CID150062889
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
SMILESNCc1ccc(C(N)CC2CC2)cc1F
InChIInChI=1S/C12H17FN2/c13-11-6-9(3-4-10(11)7-14)12(15)5-8-1-2-8/h3-4,6,8,12H,1-2,5,7,14-15H2
InChIKeyDNQWSVJHBAVVBD-UHFFFAOYSA-N
XLogP2.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine?
The IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine (CID 150062889) is 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine.
What is the SMILES notation for 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine?
The canonical SMILES for 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine is NCc1ccc(C(N)CC2CC2)cc1F.
What is the InChIKey of 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine?
The InChIKey is DNQWSVJHBAVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-6-9(3-4-10(11)7-14)12(15)5-8-1-2-8/h3-4,6,8,12H,1-2,5,7,14-15H2.
What are the key properties of 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine?
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine has a molecular weight of 208.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine is sourced from PubChem (CID 150062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).