[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine

C16H25NO — CID 65016714

IUPAC[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccccc1C1(CN)CC(C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-15(2,3)12-9-16(10-12,11-17)13-7-5-6-8-14(13)18-4/h5-8,12H,9-11,17H2,1-4H3
InChIKeyLBCGIIPSMGRGFQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.35
Rot. Bonds3

About [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine

[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 65016714) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine
PubChem CID65016714
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccccc1C1(CN)CC(C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-15(2,3)12-9-16(10-12,11-17)13-7-5-6-8-14(13)18-4/h5-8,12H,9-11,17H2,1-4H3
InChIKeyLBCGIIPSMGRGFQ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol
CID 115032701
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008172
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091858
[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
CID 65017119
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
1-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 64516240
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine (CID 65016714) is [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine is COc1ccccc1C1(CN)CC(C(C)(C)C)C1.
What is the InChIKey of [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is LBCGIIPSMGRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)12-9-16(10-12,11-17)13-7-5-6-8-14(13)18-4/h5-8,12H,9-11,17H2,1-4H3.
What are the key properties of [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine?
[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 65016714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).