N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine

C15H22FN — CID 104819491

IUPACN-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1ccccc1F)C1CC1
InChIInChI=1S/C15H22FN/c1-11(2)9-17-10-14(12-7-8-12)13-5-3-4-6-15(13)16/h3-6,11-12,14,17H,7-10H2,1-2H3
InChIKeyITTWRJBPPIPWTL-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.56
Rot. Bonds6

About N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine

N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 104819491) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
PubChem CID104819491
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1ccccc1F)C1CC1
InChIInChI=1S/C15H22FN/c1-11(2)9-17-10-14(12-7-8-12)13-5-3-4-6-15(13)16/h3-6,11-12,14,17H,7-10H2,1-2H3
InChIKeyITTWRJBPPIPWTL-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 104819492
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
CID 79434689
N-[2-cyclohexyl-2-(2-fluorophenyl)ethyl]cyclopropanamine
CID 82934224
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
2-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 79439602

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine (CID 104819491) is N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine is CC(C)CNCC(c1ccccc1F)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is ITTWRJBPPIPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)9-17-10-14(12-7-8-12)13-5-3-4-6-15(13)16/h3-6,11-12,14,17H,7-10H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104819491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).