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

C17H27NO — CID 81023463

IUPACN-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(C2CCC2CNCC(C)C)c1
InChIInChI=1S/C17H27NO/c1-4-19-16-7-5-6-14(10-16)17-9-8-15(17)12-18-11-13(2)3/h5-7,10,13,15,17-18H,4,8-9,11-12H2,1-3H3
InChIKeyATCBLUIGFQTTEV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.82
Rot. Bonds7

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

N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 81023463) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID81023463
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(C2CCC2CNCC(C)C)c1
InChIInChI=1S/C17H27NO/c1-4-19-16-7-5-6-14(10-16)17-9-8-15(17)12-18-11-13(2)3/h5-7,10,13,15,17-18H,4,8-9,11-12H2,1-3H3
InChIKeyATCBLUIGFQTTEV-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712637
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 81023463) is N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is CCOc1cccc(C2CCC2CNCC(C)C)c1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ATCBLUIGFQTTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-16-7-5-6-14(10-16)17-9-8-15(17)12-18-11-13(2)3/h5-7,10,13,15,17-18H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81023463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).