1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol

C17H27NO2 — CID 141350221

IUPAC1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
SMILESCCC(N)(O)c1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-17(18,19)15-10-7-11-16(12-15)20-13-14-8-5-3-4-6-9-14/h7,10-12,14,19H,2-6,8-9,13,18H2,1H3
InChIKeyMQMSCAFVPSUCBK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds5

About 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol

1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol (PubChem CID 141350221) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
PubChem CID141350221
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
SMILESCCC(N)(O)c1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-17(18,19)15-10-7-11-16(12-15)20-13-14-8-5-3-4-6-9-14/h7,10-12,14,19H,2-6,8-9,13,18H2,1H3
InChIKeyMQMSCAFVPSUCBK-UHFFFAOYSA-N
XLogP3.55
TPSA55.48 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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-[3-(cyclopentylmethoxy)phenyl]ethanamine
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1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
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CID 60731171
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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol (CID 141350221) is 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol is CCC(N)(O)c1cccc(OCC2CCCCCC2)c1.
What is the InChIKey of 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
The InChIKey is MQMSCAFVPSUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-17(18,19)15-10-7-11-16(12-15)20-13-14-8-5-3-4-6-9-14/h7,10-12,14,19H,2-6,8-9,13,18H2,1H3.
What are the key properties of 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 141350221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).