1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C16H24F2N2O — CID 105415471

IUPAC1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O/c1-12(19-11-16(20(2)3)9-4-10-16)13-5-7-14(8-6-13)21-15(17)18/h5-8,12,15,19H,4,9-11H2,1-3H3
InChIKeyDWIKJXAWAOAPIL-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.42
Rot. Bonds7

About 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415471) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415471
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O/c1-12(19-11-16(20(2)3)9-4-10-16)13-5-7-14(8-6-13)21-15(17)18/h5-8,12,15,19H,4,9-11H2,1-3H3
InChIKeyDWIKJXAWAOAPIL-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(3-Methoxyphenyl)-1-phenylethyl)piperazine
CID 13904719
(2S,3S)-3-(2-Methoxy-5-(2,2,2-trifluoroethyl)benzyl)amino-2-phenylpiperidine
CID 15549737
1-benzyl-N-(4-methoxybenzyl)piperidin-4-amine
CID 784035
N-(4-methoxybenzyl)cyclohexanamine
CID 274796
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
1-((4-Methoxyphenyl)methyl)piperazine
CID 231905
1-[(4-Ethoxyphenyl)methyl]piperazine
CID 796533
(2-(Dimethylamino)ethyl)((4-methoxyphenyl)methyl)amine
CID 3154217
2-(4-Methoxyphenyl)-2-piperidin-1-ylethanamine
CID 3838116
(4-Fluorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846620
N-(4-methoxybenzyl)-3-phenyl-2-propen-1-amine hydrochloride
CID 6464138
1-Methyl-4-[4-(trifluoromethoxy)benzyl]piperazine
CID 782276

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415471) is 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CC(NCC1(N(C)C)CCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is DWIKJXAWAOAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-12(19-11-16(20(2)3)9-4-10-16)13-5-7-14(8-6-13)21-15(17)18/h5-8,12,15,19H,4,9-11H2,1-3H3.
What are the key properties of 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 298.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).