N-butyl-5-(3-methoxyphenoxy)pentan-1-amine

C16H27NO2 — CID 2247389

IUPACN-butyl-5-(3-methoxyphenoxy)pentan-1-amine
SMILESCCCCNCCCCCOc1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-3-4-11-17-12-6-5-7-13-19-16-10-8-9-15(14-16)18-2/h8-10,14,17H,3-7,11-13H2,1-2H3
InChIKeyKXTZXIWPMLDECT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds11

About N-butyl-5-(3-methoxyphenoxy)pentan-1-amine

N-butyl-5-(3-methoxyphenoxy)pentan-1-amine (PubChem CID 2247389) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butyl-5-(3-methoxyphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-butyl-5-(3-methoxyphenoxy)pentan-1-amine
PubChem CID2247389
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-butyl-5-(3-methoxyphenoxy)pentan-1-amine
SMILESCCCCNCCCCCOc1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-3-4-11-17-12-6-5-7-13-19-16-10-8-9-15(14-16)18-2/h8-10,14,17H,3-7,11-13H2,1-2H3
InChIKeyKXTZXIWPMLDECT-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
1,3-dihexadecoxybenzene
CID 12686834
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
CID 62597582
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
3-[4-(butylamino)butoxy]benzoic acid
CID 71156686
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3-methoxyphenoxy)pentan-1-amine?
The IUPAC name of N-butyl-5-(3-methoxyphenoxy)pentan-1-amine (CID 2247389) is N-butyl-5-(3-methoxyphenoxy)pentan-1-amine.
What is the SMILES notation for N-butyl-5-(3-methoxyphenoxy)pentan-1-amine?
The canonical SMILES for N-butyl-5-(3-methoxyphenoxy)pentan-1-amine is CCCCNCCCCCOc1cccc(OC)c1.
What is the InChIKey of N-butyl-5-(3-methoxyphenoxy)pentan-1-amine?
The InChIKey is KXTZXIWPMLDECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-11-17-12-6-5-7-13-19-16-10-8-9-15(14-16)18-2/h8-10,14,17H,3-7,11-13H2,1-2H3.
What are the key properties of N-butyl-5-(3-methoxyphenoxy)pentan-1-amine?
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3-methoxyphenoxy)pentan-1-amine is sourced from PubChem (CID 2247389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).