N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine

C14H21N — CID 62596821

IUPACN-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(C)c2)CCC1
InChIInChI=1S/C14H21N/c1-3-15-11-14(8-5-9-14)13-7-4-6-12(2)10-13/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3
InChIKeyMIZDCBWZOQZWGC-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.03
Rot. Bonds4

About N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine

N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine (PubChem CID 62596821) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
PubChem CID62596821
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(C)c2)CCC1
InChIInChI=1S/C14H21N/c1-3-15-11-14(8-5-9-14)13-7-4-6-12(2)10-13/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3
InChIKeyMIZDCBWZOQZWGC-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
CID 63511415
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[[3,3-dimethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998081
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970860

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine (CID 62596821) is N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine is CCNCC1(c2cccc(C)c2)CCC1.
What is the InChIKey of N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine?
The InChIKey is MIZDCBWZOQZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-15-11-14(8-5-9-14)13-7-4-6-12(2)10-13/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine?
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 62596821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).