N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine

C16H26N2O — CID 115245958

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)CC2(CN)CCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(13-16(12-17)9-3-10-16)11-8-14-4-6-15(19-2)7-5-14/h4-7H,3,8-13,17H2,1-2H3
InChIKeyDFZBTRXRWRWMHB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds7

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 115245958) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID115245958
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)CC2(CN)CCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(13-16(12-17)9-3-10-16)11-8-14-4-6-15(19-2)7-5-14/h4-7H,3,8-13,17H2,1-2H3
InChIKeyDFZBTRXRWRWMHB-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115244371
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
CID 84686797
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine (CID 115245958) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine is COc1ccc(CCN(C)CC2(CN)CCC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is DFZBTRXRWRWMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(13-16(12-17)9-3-10-16)11-8-14-4-6-15(19-2)7-5-14/h4-7H,3,8-13,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115245958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).