4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine

C18H29NO — CID 65090015

IUPAC4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
SMILESCOc1ccc(C2(N)CCCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-17(2,3)14-6-5-12-18(19,13-11-14)15-7-9-16(20-4)10-8-15/h7-10,14H,5-6,11-13,19H2,1-4H3
InChIKeyLSRJVLQLUPIYAC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds2

About 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine

4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine (PubChem CID 65090015) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
PubChem CID65090015
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
SMILESCOc1ccc(C2(N)CCCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-17(2,3)14-6-5-12-18(19,13-11-14)15-7-9-16(20-4)10-8-15/h7-10,14H,5-6,11-13,19H2,1-4H3
InChIKeyLSRJVLQLUPIYAC-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719
1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine
CID 117460035
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
4-tert-butyl-1-(2-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 103395169
4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine
CID 115373871
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
CID 115025190
4-tert-butyl-1-(2-methylthiophen-3-yl)cycloheptan-1-amine
CID 102830522
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
4-tert-butyl-1-(3,5-difluorophenyl)cyclohexan-1-amine
CID 63407310
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158410328

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine (CID 65090015) is 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine is COc1ccc(C2(N)CCCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine?
The InChIKey is LSRJVLQLUPIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)14-6-5-12-18(19,13-11-14)15-7-9-16(20-4)10-8-15/h7-10,14H,5-6,11-13,19H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine?
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65090015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).