1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine

C18H29NO2 — CID 64738457

IUPAC1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)ccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-12-5-7-16(9-13(12)2)21-17-8-6-15(10-14(3)19)11-18(17)20-4/h6,8,11-14,16H,5,7,9-10,19H2,1-4H3
InChIKeyKTQDUTUJPNWWQV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine

1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine (PubChem CID 64738457) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
PubChem CID64738457
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)ccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-12-5-7-16(9-13(12)2)21-17-8-6-15(10-14(3)19)11-18(17)20-4/h6,8,11-14,16H,5,7,9-10,19H2,1-4H3
InChIKeyKTQDUTUJPNWWQV-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64776692
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739847
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 107693086
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine (CID 64738457) is 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine is COc1cc(CC(C)N)ccc1OC1CCC(C)C(C)C1.
What is the InChIKey of 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
The InChIKey is KTQDUTUJPNWWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-5-7-16(9-13(12)2)21-17-8-6-15(10-14(3)19)11-18(17)20-4/h6,8,11-14,16H,5,7,9-10,19H2,1-4H3.
What are the key properties of 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine?
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 64738457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).