(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine

C9H14FN3 — CID 66516658

IUPAC(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
SMILESNCc1ccc([C@@H](N)CN)cc1F
InChIInChI=1S/C9H14FN3/c10-8-3-6(9(13)5-12)1-2-7(8)4-11/h1-3,9H,4-5,11-13H2/t9-/m0/s1
InChIKeyPKELQULWNKSJLB-VIFPVBQESA-N
MW183.23 g/mol
LogP0.24
Rot. Bonds3

About (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine

(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine (PubChem CID 66516658) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
PubChem CID66516658
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
SMILESNCc1ccc([C@@H](N)CN)cc1F
InChIInChI=1S/C9H14FN3/c10-8-3-6(9(13)5-12)1-2-7(8)4-11/h1-3,9H,4-5,11-13H2/t9-/m0/s1
InChIKeyPKELQULWNKSJLB-VIFPVBQESA-N
XLogP0.24
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
5-[(1S)-1,2-diaminoethyl]-2-fluorobenzonitrile
CID 55265325
N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide
CID 66516971
4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide
CID 171899204
(1S)-1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517409
1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 77131117

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine?
The IUPAC name of (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine (CID 66516658) is (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine?
The canonical SMILES for (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine is NCc1ccc([C@@H](N)CN)cc1F.
What is the InChIKey of (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine?
The InChIKey is PKELQULWNKSJLB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14FN3/c10-8-3-6(9(13)5-12)1-2-7(8)4-11/h1-3,9H,4-5,11-13H2/t9-/m0/s1.
What are the key properties of (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine?
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine has a molecular weight of 183.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine is sourced from PubChem (CID 66516658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).