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

C18H29NO2 — CID 64746715

IUPAC2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-12-5-8-17(11-13(12)2)21-14(3)18(19)15-6-9-16(20-4)10-7-15/h6-7,9-10,12-14,17-18H,5,8,11,19H2,1-4H3
InChIKeySYYZEDOPYFSGDD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.92
Rot. Bonds5

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

2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 64746715) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine
PubChem CID64746715
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-12-5-8-17(11-13(12)2)21-14(3)18(19)15-6-9-16(20-4)10-7-15/h6-7,9-10,12-14,17-18H,5,8,11,19H2,1-4H3
InChIKeySYYZEDOPYFSGDD-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-2-amine
CID 64746888
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine
CID 64654768
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103487571
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine (CID 64746715) is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)C(C)OC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is SYYZEDOPYFSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-5-8-17(11-13(12)2)21-14(3)18(19)15-6-9-16(20-4)10-7-15/h6-7,9-10,12-14,17-18H,5,8,11,19H2,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 64746715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).