N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine

C17H25F2NO — CID 106661841

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC(NC1CC(C)(C)CC1C)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H25F2NO/c1-11-9-17(3,4)10-15(11)20-12(2)13-6-5-7-14(8-13)21-16(18)19/h5-8,11-12,15-16,20H,9-10H2,1-4H3
InChIKeyWDSMLTIUCFSVSJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.76
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106661841) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106661841
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC(NC1CC(C)(C)CC1C)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H25F2NO/c1-11-9-17(3,4)10-15(11)20-12(2)13-6-5-7-14(8-13)21-16(18)19/h5-8,11-12,15-16,20H,9-10H2,1-4H3
InChIKeyWDSMLTIUCFSVSJ-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
N-[1-[3-(difluoromethoxy)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167924571
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]cyclopentyl]methanol
CID 103786076
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4,4-dimethylthian-3-amine
CID 79954483
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 81360676
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
CID 79458545
2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 64762616
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 97108387
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106661841) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine is CC(NC1CC(C)(C)CC1C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is WDSMLTIUCFSVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-11-9-17(3,4)10-15(11)20-12(2)13-6-5-7-14(8-13)21-16(18)19/h5-8,11-12,15-16,20H,9-10H2,1-4H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106661841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).