[1-(2-tert-butylphenoxy)cyclohexyl]methanamine

C17H27NO — CID 82133148

IUPAC[1-(2-tert-butylphenoxy)cyclohexyl]methanamine
SMILESCC(C)(C)c1ccccc1OC1(CN)CCCCC1
InChIInChI=1S/C17H27NO/c1-16(2,3)14-9-5-6-10-15(14)19-17(13-18)11-7-4-8-12-17/h5-6,9-10H,4,7-8,11-13,18H2,1-3H3
InChIKeyNLJUAHRZGGOEBW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.02
Rot. Bonds3

About [1-(2-tert-butylphenoxy)cyclohexyl]methanamine

[1-(2-tert-butylphenoxy)cyclohexyl]methanamine (PubChem CID 82133148) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(2-tert-butylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butylphenoxy)cyclohexyl]methanamine
PubChem CID82133148
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(2-tert-butylphenoxy)cyclohexyl]methanamine
SMILESCC(C)(C)c1ccccc1OC1(CN)CCCCC1
InChIInChI=1S/C17H27NO/c1-16(2,3)14-9-5-6-10-15(14)19-17(13-18)11-7-4-8-12-17/h5-6,9-10H,4,7-8,11-13,18H2,1-3H3
InChIKeyNLJUAHRZGGOEBW-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273476
[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine
CID 82132436
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126
[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 82131027
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373
[1-(2,3-dichlorophenoxy)cyclopropyl]methanamine
CID 83920752

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(2-tert-butylphenoxy)cyclohexyl]methanamine (CID 82133148) is [1-(2-tert-butylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-tert-butylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-tert-butylphenoxy)cyclohexyl]methanamine is CC(C)(C)c1ccccc1OC1(CN)CCCCC1.
What is the InChIKey of [1-(2-tert-butylphenoxy)cyclohexyl]methanamine?
The InChIKey is NLJUAHRZGGOEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)14-9-5-6-10-15(14)19-17(13-18)11-7-4-8-12-17/h5-6,9-10H,4,7-8,11-13,18H2,1-3H3.
What are the key properties of [1-(2-tert-butylphenoxy)cyclohexyl]methanamine?
[1-(2-tert-butylphenoxy)cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 82133148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).