3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine

C17H27NO — CID 170000630

IUPAC3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine
SMILESCc1cc(CCCN)cc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14-10-16(8-5-9-18)12-17(11-14)19-13-15-6-3-2-4-7-15/h10-12,15H,2-9,13,18H2,1H3
InChIKeyLFZONMOTIPKDBI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds6

About 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine

3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine (PubChem CID 170000630) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine
PubChem CID170000630
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine
SMILESCc1cc(CCCN)cc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14-10-16(8-5-9-18)12-17(11-14)19-13-15-6-3-2-4-7-15/h10-12,15H,2-9,13,18H2,1H3
InChIKeyLFZONMOTIPKDBI-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
4-[3-bromo-5-(cyclobutylmethoxy)phenyl]butan-1-amine
CID 117497336
1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
CID 69097440
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
4-(3-cyclopropyl-5-methylphenyl)butan-1-amine
CID 66581588
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
3-[3-(cyclohexylmethoxy)cyclohepta-1,3,5-trien-1-yl]propan-1-amine
CID 130373341
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
4-[(3,5-dimethylphenoxy)methyl]thiane 1,1-dioxide
CID 126561186
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine?
The IUPAC name of 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine (CID 170000630) is 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine is Cc1cc(CCCN)cc(OCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine?
The InChIKey is LFZONMOTIPKDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-10-16(8-5-9-18)12-17(11-14)19-13-15-6-3-2-4-7-15/h10-12,15H,2-9,13,18H2,1H3.
What are the key properties of 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine?
3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine is sourced from PubChem (CID 170000630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).