[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine

C19H31NO — CID 65016920

IUPAC[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
SMILESCC(C)COc1ccc(C2(CN)CC(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)12-21-17-8-6-15(7-9-17)19(13-20)10-16(11-19)18(3,4)5/h6-9,14,16H,10-13,20H2,1-5H3
InChIKeyWWCOSWWGCDYVTG-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.37
Rot. Bonds5

About [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine

[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine (PubChem CID 65016920) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
PubChem CID65016920
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
SMILESCC(C)COc1ccc(C2(CN)CC(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)12-21-17-8-6-15(7-9-17)19(13-20)10-16(11-19)18(3,4)5/h6-9,14,16H,10-13,20H2,1-5H3
InChIKeyWWCOSWWGCDYVTG-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine
CID 65017273
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731
1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016671
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849
[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
CID 95467774
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
CID 838462
3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine
CID 65014563

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine?
The IUPAC name of [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine (CID 65016920) is [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine is CC(C)COc1ccc(C2(CN)CC(C(C)(C)C)C2)cc1.
What is the InChIKey of [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine?
The InChIKey is WWCOSWWGCDYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)12-21-17-8-6-15(7-9-17)19(13-20)10-16(11-19)18(3,4)5/h6-9,14,16H,10-13,20H2,1-5H3.
What are the key properties of [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine?
[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 65016920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).