N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

C17H27NO — CID 65194679

IUPACN-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC2(CNC(C)(C)C)CCC2)c1
InChIInChI=1S/C17H27NO/c1-16(2,3)18-13-17(9-6-10-17)12-14-7-5-8-15(11-14)19-4/h5,7-8,11,18H,6,9-10,12-13H2,1-4H3
InChIKeyOHRQMKQPOMMGJE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds5

About N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 65194679) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID65194679
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC2(CNC(C)(C)C)CCC2)c1
InChIInChI=1S/C17H27NO/c1-16(2,3)18-13-17(9-6-10-17)12-14-7-5-8-15(11-14)19-4/h5,7-8,11,18H,6,9-10,12-13H2,1-4H3
InChIKeyOHRQMKQPOMMGJE-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65196166
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66023597

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (CID 65194679) is N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is COc1cccc(CC2(CNC(C)(C)C)CCC2)c1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OHRQMKQPOMMGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)18-13-17(9-6-10-17)12-14-7-5-8-15(11-14)19-4/h5,7-8,11,18H,6,9-10,12-13H2,1-4H3.
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65194679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).