(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine

C18H29NO2 — CID 116766270

IUPAC(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCOC1(C(N)c2cccc(OC(C)C)c2)CCC(C)CC1
InChIInChI=1S/C18H29NO2/c1-13(2)21-16-7-5-6-15(12-16)17(19)18(20-4)10-8-14(3)9-11-18/h5-7,12-14,17H,8-11,19H2,1-4H3
InChIKeyYHIJRSQJWWTAOF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds5

About (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine

(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 116766270) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID116766270
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCOC1(C(N)c2cccc(OC(C)C)c2)CCC(C)CC1
InChIInChI=1S/C18H29NO2/c1-13(2)21-16-7-5-6-15(12-16)17(19)18(20-4)10-8-14(3)9-11-18/h5-7,12-14,17H,8-11,19H2,1-4H3
InChIKeyYHIJRSQJWWTAOF-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 116766242
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
CID 116766241
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688
(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 107513888
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine (CID 116766270) is (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine is COC1(C(N)c2cccc(OC(C)C)c2)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is YHIJRSQJWWTAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)21-16-7-5-6-15(12-16)17(19)18(20-4)10-8-14(3)9-11-18/h5-7,12-14,17H,8-11,19H2,1-4H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine?
(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 291.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 116766270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).