N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

C14H20F2N2 — CID 115245867

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCN(Cc1cc(F)ccc1F)CC1(CN)CCC1
InChIInChI=1S/C14H20F2N2/c1-18(10-14(9-17)5-2-6-14)8-11-7-12(15)3-4-13(11)16/h3-4,7H,2,5-6,8-10,17H2,1H3
InChIKeyDKRRGYBCQQHQGG-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.53
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 115245867) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID115245867
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCN(Cc1cc(F)ccc1F)CC1(CN)CCC1
InChIInChI=1S/C14H20F2N2/c1-18(10-14(9-17)5-2-6-14)8-11-7-12(15)3-4-13(11)16/h3-4,7H,2,5-6,8-10,17H2,1H3
InChIKeyDKRRGYBCQQHQGG-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
1-[[(2,5-difluorophenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245356
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
CID 56720245
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 113311854
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 115245867) is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is CN(Cc1cc(F)ccc1F)CC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is DKRRGYBCQQHQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18(10-14(9-17)5-2-6-14)8-11-7-12(15)3-4-13(11)16/h3-4,7H,2,5-6,8-10,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115245867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).