1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine

C17H27NO — CID 117408759

IUPAC1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1C1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12-4-7-15(8-5-12)16-11-14(10-13(2)18)6-9-17(16)19-3/h6,9,11-13,15H,4-5,7-8,10,18H2,1-3H3
InChIKeyMIQRHYPGPBWGRH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds4

About 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine

1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine (PubChem CID 117408759) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
PubChem CID117408759
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1C1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12-4-7-15(8-5-12)16-11-14(10-13(2)18)6-9-17(16)19-3/h6,9,11-13,15H,4-5,7-8,10,18H2,1-3H3
InChIKeyMIQRHYPGPBWGRH-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
CID 117377485
1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
CID 118252120
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64776692
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117371838
[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117436679
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine (CID 117408759) is 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine is COc1ccc(CC(C)N)cc1C1CCC(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine?
The InChIKey is MIQRHYPGPBWGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-4-7-15(8-5-12)16-11-14(10-13(2)18)6-9-17(16)19-3/h6,9,11-13,15H,4-5,7-8,10,18H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine?
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine is sourced from PubChem (CID 117408759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).