N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine

C13H18FN — CID 115607332

IUPACN-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCC1CC1
InChIInChI=1S/C13H18FN/c1-10(15-9-11-6-7-11)8-12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyWKHGGNXHTJBKQS-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.76
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine

N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 115607332) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID115607332
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCC1CC1
InChIInChI=1S/C13H18FN/c1-10(15-9-11-6-7-11)8-12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyWKHGGNXHTJBKQS-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
(2S)-N-[(1,1-dioxothian-4-yl)methyl]-1-(2-methylsulfanylphenyl)propan-2-amine
CID 99853737
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 114830797
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine (CID 115607332) is N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine is CC(Cc1ccccc1F)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is WKHGGNXHTJBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(15-9-11-6-7-11)8-12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine?
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 207.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 115607332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).