(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride

C9H14ClFN2 — CID 171199114

IUPAC(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H13FN2.ClH/c10-8-3-1-7(2-4-8)9(12)5-6-11;/h1-4,9H,5-6,11-12H2;1H/t9-;/m1./s1
InChIKeyACMKHQJYLONMOM-SBSPUUFOSA-N
MW204.68 g/mol
LogP1.60
Rot. Bonds3

About (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride

(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171199114) has the molecular formula C9H14ClFN2 and a molecular weight of 204.68 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
PubChem CID171199114
Molecular FormulaC9H14ClFN2
Molecular Weight204.68 g/mol
Exact Mass204.08
IUPAC Name(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H13FN2.ClH/c10-8-3-1-7(2-4-8)9(12)5-6-11;/h1-4,9H,5-6,11-12H2;1H/t9-;/m1./s1
InChIKeyACMKHQJYLONMOM-SBSPUUFOSA-N
XLogP1.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455
3-(4-fluorophenyl)pentan-1-amine
CID 15014572

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride (CID 171199114) is (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride is Cl.NCC[C@@H](N)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is ACMKHQJYLONMOM-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13FN2.ClH/c10-8-3-1-7(2-4-8)9(12)5-6-11;/h1-4,9H,5-6,11-12H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 204.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171199114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).