[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol

C18H29NO3 — CID 118042367

IUPAC[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol
SMILESCOc1ccc(C(CN(C)CO)C2(OC)CCCCC2)cc1
InChIInChI=1S/C18H29NO3/c1-19(14-20)13-17(15-7-9-16(21-2)10-8-15)18(22-3)11-5-4-6-12-18/h7-10,17,20H,4-6,11-14H2,1-3H3
InChIKeySMESGDHMYOHAEL-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.01
Rot. Bonds7

About [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol

[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol (PubChem CID 118042367) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol.

Molecular Properties

Compound Name[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol
PubChem CID118042367
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol
SMILESCOc1ccc(C(CN(C)CO)C2(OC)CCCCC2)cc1
InChIInChI=1S/C18H29NO3/c1-19(14-20)13-17(15-7-9-16(21-2)10-8-15)18(22-3)11-5-4-6-12-18/h7-10,17,20H,4-6,11-14H2,1-3H3
InChIKeySMESGDHMYOHAEL-UHFFFAOYSA-N
XLogP3.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 118042370
2-(1-ethoxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 68868814
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
(Z)-4-[1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexyl]oxy-4-oxobut-2-enoic acid
CID 69404467
[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl 5-[(3R)-dithiolan-3-yl]pentanoate
CID 118047657
[4-[2-(dimethylamino)-1-[1-(4-methoxybenzoyl)oxycyclohexyl]ethyl]phenyl] 4-methylbenzoate
CID 15983531
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838695
[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098
(E)-but-2-enedioic acid;[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methoxybenzoate
CID 71655996
N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide
CID 172820270

Frequently Asked Questions

What is the IUPAC name of [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol?
The IUPAC name of [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol (CID 118042367) is [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol.
What is the SMILES notation for [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol?
The canonical SMILES for [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol is COc1ccc(C(CN(C)CO)C2(OC)CCCCC2)cc1.
What is the InChIKey of [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol?
The InChIKey is SMESGDHMYOHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-19(14-20)13-17(15-7-9-16(21-2)10-8-15)18(22-3)11-5-4-6-12-18/h7-10,17,20H,4-6,11-14H2,1-3H3.
What are the key properties of [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol?
[[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol has a molecular weight of 307.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methanol is sourced from PubChem (CID 118042367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).