N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine

C17H28N2O — CID 107398013

IUPACN-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1cc(CNC)ccc1OC)CC1CCC1
InChIInChI=1S/C17H28N2O/c1-4-19(12-14-6-5-7-14)13-16-10-15(11-18-2)8-9-17(16)20-3/h8-10,14,18H,4-7,11-13H2,1-3H3
InChIKeyNFLCZVCFRLEOIZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.04
Rot. Bonds8

About N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine

N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine (PubChem CID 107398013) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
PubChem CID107398013
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1cc(CNC)ccc1OC)CC1CCC1
InChIInChI=1S/C17H28N2O/c1-4-19(12-14-6-5-7-14)13-16-10-15(11-18-2)8-9-17(16)20-3/h8-10,14,18H,4-7,11-13H2,1-3H3
InChIKeyNFLCZVCFRLEOIZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 62018739
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62017800
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
4-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methoxybenzoic acid
CID 107402347
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691
N-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclopropanamine
CID 62018353

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine (CID 107398013) is N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine is CCN(Cc1cc(CNC)ccc1OC)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine?
The InChIKey is NFLCZVCFRLEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(12-14-6-5-7-14)13-16-10-15(11-18-2)8-9-17(16)20-3/h8-10,14,18H,4-7,11-13H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine?
N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107398013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).