1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol

C18H29NO2 — CID 170640391

IUPAC1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol
SMILESCC1(COc2ccc(C(N)C(C)(C)O)cc2)CCCCC1
InChIInChI=1S/C18H29NO2/c1-17(2,20)16(19)14-7-9-15(10-8-14)21-13-18(3)11-5-4-6-12-18/h7-10,16,20H,4-6,11-13,19H2,1-3H3
InChIKeyOYTGUGODIRNUOS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.81
Rot. Bonds5

About 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol

1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol (PubChem CID 170640391) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol
PubChem CID170640391
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol
SMILESCC1(COc2ccc(C(N)C(C)(C)O)cc2)CCCCC1
InChIInChI=1S/C18H29NO2/c1-17(2,20)16(19)14-7-9-15(10-8-14)21-13-18(3)11-5-4-6-12-18/h7-10,16,20H,4-6,11-13,19H2,1-3H3
InChIKeyOYTGUGODIRNUOS-UHFFFAOYSA-N
XLogP3.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol?
The IUPAC name of 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol (CID 170640391) is 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol is CC1(COc2ccc(C(N)C(C)(C)O)cc2)CCCCC1.
What is the InChIKey of 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol?
The InChIKey is OYTGUGODIRNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,20)16(19)14-7-9-15(10-8-14)21-13-18(3)11-5-4-6-12-18/h7-10,16,20H,4-6,11-13,19H2,1-3H3.
What are the key properties of 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol?
1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol is sourced from PubChem (CID 170640391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).