N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine

C16H21F2NO — CID 115728460

IUPACN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)NC1CC=CC1
InChIInChI=1S/C16H21F2NO/c1-12(19-14-4-2-3-5-14)6-7-13-8-10-15(11-9-13)20-16(17)18/h2-3,8-12,14,16,19H,4-7H2,1H3
InChIKeyZCWOSTQWWISXDZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.92
Rot. Bonds7

About N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine

N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine (PubChem CID 115728460) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
PubChem CID115728460
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)NC1CC=CC1
InChIInChI=1S/C16H21F2NO/c1-12(19-14-4-2-3-5-14)6-7-13-8-10-15(11-9-13)20-16(17)18/h2-3,8-12,14,16,19H,4-7H2,1H3
InChIKeyZCWOSTQWWISXDZ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine
CID 82726102
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
CID 114987010
3-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]azepan-2-one
CID 119165018
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82711474
2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]acetic acid
CID 43247467
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methylbut-3-yn-2-amine
CID 63999943
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine (CID 115728460) is N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine is CC(CCc1ccc(OC(F)F)cc1)NC1CC=CC1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine?
The InChIKey is ZCWOSTQWWISXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-12(19-14-4-2-3-5-14)6-7-13-8-10-15(11-9-13)20-16(17)18/h2-3,8-12,14,16,19H,4-7H2,1H3.
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine?
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine has a molecular weight of 281.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115728460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).