2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol

C17H27NO2 — CID 61166947

IUPAC2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
SMILESCc1ccc(OCC(C)NC2CCCCCC2O)cc1
InChIInChI=1S/C17H27NO2/c1-13-8-10-15(11-9-13)20-12-14(2)18-16-6-4-3-5-7-17(16)19/h8-11,14,16-19H,3-7,12H2,1-2H3
InChIKeyWEJPUHDPKVHMJR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.05
Rot. Bonds5

About 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol

2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol (PubChem CID 61166947) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
PubChem CID61166947
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
SMILESCc1ccc(OCC(C)NC2CCCCCC2O)cc1
InChIInChI=1S/C17H27NO2/c1-13-8-10-15(11-9-13)20-12-14(2)18-16-6-4-3-5-7-17(16)19/h8-11,14,16-19H,3-7,12H2,1-2H3
InChIKeyWEJPUHDPKVHMJR-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
CID 61166948
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 81333951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol?
The IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol (CID 61166947) is 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol is Cc1ccc(OCC(C)NC2CCCCCC2O)cc1.
What is the InChIKey of 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol?
The InChIKey is WEJPUHDPKVHMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-8-10-15(11-9-13)20-12-14(2)18-16-6-4-3-5-7-17(16)19/h8-11,14,16-19H,3-7,12H2,1-2H3.
What are the key properties of 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol?
2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol is sourced from PubChem (CID 61166947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).