N-(3-fluoropropyl)-2-phenylpropan-1-amine

C12H18FN — CID 104591480

IUPACN-(3-fluoropropyl)-2-phenylpropan-1-amine
SMILESCC(CNCCCF)c1ccccc1
InChIInChI=1S/C12H18FN/c1-11(10-14-9-5-8-13)12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3
InChIKeyZSZRFGREZGGHCC-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.74
Rot. Bonds6

About N-(3-fluoropropyl)-2-phenylpropan-1-amine

N-(3-fluoropropyl)-2-phenylpropan-1-amine (PubChem CID 104591480) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-phenylpropan-1-amine
PubChem CID104591480
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-(3-fluoropropyl)-2-phenylpropan-1-amine
SMILESCC(CNCCCF)c1ccccc1
InChIInChI=1S/C12H18FN/c1-11(10-14-9-5-8-13)12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3
InChIKeyZSZRFGREZGGHCC-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
CID 115876821
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-(2-methylsulfinylethyl)-2-phenylpropan-1-amine
CID 115763450
2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
CID 106709585

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-phenylpropan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-2-phenylpropan-1-amine (CID 104591480) is N-(3-fluoropropyl)-2-phenylpropan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-phenylpropan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-phenylpropan-1-amine is CC(CNCCCF)c1ccccc1.
What is the InChIKey of N-(3-fluoropropyl)-2-phenylpropan-1-amine?
The InChIKey is ZSZRFGREZGGHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-11(10-14-9-5-8-13)12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3.
What are the key properties of N-(3-fluoropropyl)-2-phenylpropan-1-amine?
N-(3-fluoropropyl)-2-phenylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 104591480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).