N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine

C18H29NO2 — CID 115954063

IUPACN-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
SMILESCOC1CCCC(Oc2c(C)cccc2CNC(C)C)C1
InChIInChI=1S/C18H29NO2/c1-13(2)19-12-15-8-5-7-14(3)18(15)21-17-10-6-9-16(11-17)20-4/h5,7-8,13,16-17,19H,6,9-12H2,1-4H3
InChIKeyZJIDDISISKLIKJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine

N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine (PubChem CID 115954063) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
PubChem CID115954063
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
SMILESCOC1CCCC(Oc2c(C)cccc2CNC(C)C)C1
InChIInChI=1S/C18H29NO2/c1-13(2)19-12-15-8-5-7-14(3)18(15)21-17-10-6-9-16(11-17)20-4/h5,7-8,13,16-17,19H,6,9-12H2,1-4H3
InChIKeyZJIDDISISKLIKJ-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 107696193
N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine
CID 79158075
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427
[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol
CID 112612756
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine (CID 115954063) is N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine is COC1CCCC(Oc2c(C)cccc2CNC(C)C)C1.
What is the InChIKey of N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is ZJIDDISISKLIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)19-12-15-8-5-7-14(3)18(15)21-17-10-6-9-16(11-17)20-4/h5,7-8,13,16-17,19H,6,9-12H2,1-4H3.
What are the key properties of N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine?
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 115954063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).