1-(3-phenoxypropyl)cycloheptan-1-amine

C16H25NO — CID 62937840

IUPAC1-(3-phenoxypropyl)cycloheptan-1-amine
SMILESNC1(CCCOc2ccccc2)CCCCCC1
InChIInChI=1S/C16H25NO/c17-16(11-6-1-2-7-12-16)13-8-14-18-15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14,17H2
InChIKeyMACCVYRPBDNAPB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.90
Rot. Bonds5

About 1-(3-phenoxypropyl)cycloheptan-1-amine

1-(3-phenoxypropyl)cycloheptan-1-amine (PubChem CID 62937840) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)cycloheptan-1-amine
PubChem CID62937840
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-phenoxypropyl)cycloheptan-1-amine
SMILESNC1(CCCOc2ccccc2)CCCCCC1
InChIInChI=1S/C16H25NO/c17-16(11-6-1-2-7-12-16)13-8-14-18-15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14,17H2
InChIKeyMACCVYRPBDNAPB-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
1-(2-phenoxyethyl)cycloheptane-1-carbonitrile
CID 65389721
1-[2-(3-ethylphenoxy)ethyl]cyclopentan-1-amine
CID 28917907
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
CID 66357773

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)cycloheptan-1-amine?
The IUPAC name of 1-(3-phenoxypropyl)cycloheptan-1-amine (CID 62937840) is 1-(3-phenoxypropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(3-phenoxypropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(3-phenoxypropyl)cycloheptan-1-amine is NC1(CCCOc2ccccc2)CCCCCC1.
What is the InChIKey of 1-(3-phenoxypropyl)cycloheptan-1-amine?
The InChIKey is MACCVYRPBDNAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c17-16(11-6-1-2-7-12-16)13-8-14-18-15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14,17H2.
What are the key properties of 1-(3-phenoxypropyl)cycloheptan-1-amine?
1-(3-phenoxypropyl)cycloheptan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)cycloheptan-1-amine is sourced from PubChem (CID 62937840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).