2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol

C15H24N2O2 — CID 83002746

IUPAC2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol
SMILESCC(C)Oc1cc(NC2CCCCC2O)ccc1N
InChIInChI=1S/C15H24N2O2/c1-10(2)19-15-9-11(7-8-12(15)16)17-13-5-3-4-6-14(13)18/h7-10,13-14,17-18H,3-6,16H2,1-2H3
InChIKeyXYYIQRVLJANAOL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol

2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol (PubChem CID 83002746) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol
PubChem CID83002746
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol
SMILESCC(C)Oc1cc(NC2CCCCC2O)ccc1N
InChIInChI=1S/C15H24N2O2/c1-10(2)19-15-9-11(7-8-12(15)16)17-13-5-3-4-6-14(13)18/h7-10,13-14,17-18H,3-6,16H2,1-2H3
InChIKeyXYYIQRVLJANAOL-UHFFFAOYSA-N
XLogP2.77
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxycyclopentyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002880
4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 114107471
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one
CID 83002885
4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002828
4-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002545
2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240
2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol?
The IUPAC name of 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol (CID 83002746) is 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol is CC(C)Oc1cc(NC2CCCCC2O)ccc1N.
What is the InChIKey of 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol?
The InChIKey is XYYIQRVLJANAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)19-15-9-11(7-8-12(15)16)17-13-5-3-4-6-14(13)18/h7-10,13-14,17-18H,3-6,16H2,1-2H3.
What are the key properties of 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol?
2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 83002746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).