N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine

C17H28N2O — CID 104870820

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
SMILESCCN(CC)Cc1ccccc1CNC1CC(OC)C1
InChIInChI=1S/C17H28N2O/c1-4-19(5-2)13-15-9-7-6-8-14(15)12-18-16-10-17(11-16)20-3/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyFQPGICVPBZZNHS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds8

About N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104870820) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
PubChem CID104870820
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
SMILESCCN(CC)Cc1ccccc1CNC1CC(OC)C1
InChIInChI=1S/C17H28N2O/c1-4-19(5-2)13-15-9-7-6-8-14(15)12-18-16-10-17(11-16)20-3/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyFQPGICVPBZZNHS-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588033
N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 61308773
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587914
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131729
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 61324923
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine (CID 104870820) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine is CCN(CC)Cc1ccccc1CNC1CC(OC)C1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is FQPGICVPBZZNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(5-2)13-15-9-7-6-8-14(15)12-18-16-10-17(11-16)20-3/h6-9,16-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104870820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).