N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine

C13H18FN — CID 43190691

IUPACN-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
SMILESCCC(NCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-2-13(15-9-10-3-4-10)11-5-7-12(14)8-6-11/h5-8,10,13,15H,2-4,9H2,1H3
InChIKeyIIFVVAWITRMMIJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.28
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine

N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine (PubChem CID 43190691) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
PubChem CID43190691
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
SMILESCCC(NCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-2-13(15-9-10-3-4-10)11-5-7-12(14)8-6-11/h5-8,10,13,15H,2-4,9H2,1H3
InChIKeyIIFVVAWITRMMIJ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 78997863
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
CID 60856525

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine (CID 43190691) is N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine is CCC(NCC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is IIFVVAWITRMMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-13(15-9-10-3-4-10)11-5-7-12(14)8-6-11/h5-8,10,13,15H,2-4,9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine?
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 43190691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).