[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol

C18H29NO2 — CID 81399768

IUPAC[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
SMILESCc1cc(OC(C)C)ccc1NCC1(CO)CCCCC1
InChIInChI=1S/C18H29NO2/c1-14(2)21-16-7-8-17(15(3)11-16)19-12-18(13-20)9-5-4-6-10-18/h7-8,11,14,19-20H,4-6,9-10,12-13H2,1-3H3
InChIKeyAHYXMSZAISQHNZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.14
Rot. Bonds6

About [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol

[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol (PubChem CID 81399768) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
PubChem CID81399768
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
SMILESCc1cc(OC(C)C)ccc1NCC1(CO)CCCCC1
InChIInChI=1S/C18H29NO2/c1-14(2)21-16-7-8-17(15(3)11-16)19-12-18(13-20)9-5-4-6-10-18/h7-8,11,14,19-20H,4-6,9-10,12-13H2,1-3H3
InChIKeyAHYXMSZAISQHNZ-UHFFFAOYSA-N
XLogP4.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol
CID 81418502
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5-methylbenzonitrile
CID 107927763
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol (CID 81399768) is [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol is Cc1cc(OC(C)C)ccc1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol?
The InChIKey is AHYXMSZAISQHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)21-16-7-8-17(15(3)11-16)19-12-18(13-20)9-5-4-6-10-18/h7-8,11,14,19-20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol?
[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81399768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).