2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol

C16H25NO2 — CID 115494554

IUPAC2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
SMILESCC(N)Cc1ccc(OC2CCCCCC2O)cc1
InChIInChI=1S/C16H25NO2/c1-12(17)11-13-7-9-14(10-8-13)19-16-6-4-2-3-5-15(16)18/h7-10,12,15-16,18H,2-6,11,17H2,1H3
InChIKeySMJTYICAGBZACN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol

2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol (PubChem CID 115494554) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
PubChem CID115494554
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
SMILESCC(N)Cc1ccc(OC2CCCCCC2O)cc1
InChIInChI=1S/C16H25NO2/c1-12(17)11-13-7-9-14(10-8-13)19-16-6-4-2-3-5-15(16)18/h7-10,12,15-16,18H,2-6,11,17H2,1H3
InChIKeySMJTYICAGBZACN-UHFFFAOYSA-N
XLogP2.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
CID 106940170
2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
CID 106940161
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419
ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate
CID 69423378
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880
2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol
CID 111477808
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]propan-2-amine
CID 117391642

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol?
The IUPAC name of 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol (CID 115494554) is 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol.
What is the SMILES notation for 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol?
The canonical SMILES for 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol is CC(N)Cc1ccc(OC2CCCCCC2O)cc1.
What is the InChIKey of 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol?
The InChIKey is SMJTYICAGBZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(17)11-13-7-9-14(10-8-13)19-16-6-4-2-3-5-15(16)18/h7-10,12,15-16,18H,2-6,11,17H2,1H3.
What are the key properties of 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol?
2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol is sourced from PubChem (CID 115494554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).