[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine

C17H27NO — CID 81010748

IUPAC[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
SMILESCCCOc1ccc(C2CC(C)CCC2CN)cc1
InChIInChI=1S/C17H27NO/c1-3-10-19-16-8-6-14(7-9-16)17-11-13(2)4-5-15(17)12-18/h6-9,13,15,17H,3-5,10-12,18H2,1-2H3
InChIKeyVSRHDFPPFBGWNB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds5

About [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine

[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine (PubChem CID 81010748) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
PubChem CID81010748
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
SMILESCCCOc1ccc(C2CC(C)CCC2CN)cc1
InChIInChI=1S/C17H27NO/c1-3-10-19-16-8-6-14(7-9-16)17-11-13(2)4-5-15(17)12-18/h6-9,13,15,17H,3-5,10-12,18H2,1-2H3
InChIKeyVSRHDFPPFBGWNB-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butoxyphenyl)cyclopropan-1-amine
CID 59628060
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
CID 81010417
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81010311

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine (CID 81010748) is [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine is CCCOc1ccc(C2CC(C)CCC2CN)cc1.
What is the InChIKey of [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine?
The InChIKey is VSRHDFPPFBGWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-10-19-16-8-6-14(7-9-16)17-11-13(2)4-5-15(17)12-18/h6-9,13,15,17H,3-5,10-12,18H2,1-2H3.
What are the key properties of [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine?
[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81010748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).