1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol

C18H29NO2 — CID 62268624

IUPAC1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol
SMILESCC1CCC(C(C)C)C(OCC(O)c2cccc(N)c2)C1
InChIInChI=1S/C18H29NO2/c1-12(2)16-8-7-13(3)9-18(16)21-11-17(20)14-5-4-6-15(19)10-14/h4-6,10,12-13,16-18,20H,7-9,11,19H2,1-3H3
InChIKeyVXEHRJACLAAXFZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.78
Rot. Bonds5

About 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol

1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol (PubChem CID 62268624) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol
PubChem CID62268624
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol
SMILESCC1CCC(C(C)C)C(OCC(O)c2cccc(N)c2)C1
InChIInChI=1S/C18H29NO2/c1-12(2)16-8-7-13(3)9-18(16)21-11-17(20)14-5-4-6-15(19)10-14/h4-6,10,12-13,16-18,20H,7-9,11,19H2,1-3H3
InChIKeyVXEHRJACLAAXFZ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 2-(3-aminophenyl)-2-methoxyacetate
CID 174669057
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 100922847
1-(5-bromo-2-methoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 100922846
1-O-[2-(3-aminophenyl)-2-oxoethyl] 2-O-(5-methyl-2-propan-2-ylcyclohexyl) benzene-1,2-dicarboxylate
CID 23789860
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 3665847
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-3-phenylbutanoate
CID 59897726
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol (CID 62268624) is 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol is CC1CCC(C(C)C)C(OCC(O)c2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol?
The InChIKey is VXEHRJACLAAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)16-8-7-13(3)9-18(16)21-11-17(20)14-5-4-6-15(19)10-14/h4-6,10,12-13,16-18,20H,7-9,11,19H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol?
1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol has a molecular weight of 291.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol is sourced from PubChem (CID 62268624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).