1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine

C14H20FN — CID 115920209

IUPAC1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine
SMILESCCCC(C)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN/c1-3-4-11(2)16-14(9-10-14)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyDKEKPVATNHQNEC-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine

1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine (PubChem CID 115920209) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine
PubChem CID115920209
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine
SMILESCCCC(C)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN/c1-3-4-11(2)16-14(9-10-14)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyDKEKPVATNHQNEC-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-pentan-2-ylaniline
CID 15724808
1-(4-fluorophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175205869
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile
CID 126782171
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-(1-methoxypropan-2-yl)-1-phenylcyclopropan-1-amine
CID 115920179
(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482510
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine (CID 115920209) is 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine is CCCC(C)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine?
The InChIKey is DKEKPVATNHQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-4-11(2)16-14(9-10-14)12-5-7-13(15)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine?
1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 115920209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).