N-butyl-5-(4-methoxyphenoxy)pentan-1-amine

C16H27NO2 — CID 2248889

IUPACN-butyl-5-(4-methoxyphenoxy)pentan-1-amine
SMILESCCCCNCCCCCOc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-3-4-12-17-13-6-5-7-14-19-16-10-8-15(18-2)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyWUVZRCMJWIAOMS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds11

About N-butyl-5-(4-methoxyphenoxy)pentan-1-amine

N-butyl-5-(4-methoxyphenoxy)pentan-1-amine (PubChem CID 2248889) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butyl-5-(4-methoxyphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-butyl-5-(4-methoxyphenoxy)pentan-1-amine
PubChem CID2248889
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-butyl-5-(4-methoxyphenoxy)pentan-1-amine
SMILESCCCCNCCCCCOc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-3-4-12-17-13-6-5-7-14-19-16-10-8-15(18-2)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyWUVZRCMJWIAOMS-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

5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
1-methoxy-4-tetradecoxybenzene
CID 91712423
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
4-[4-(butylamino)butoxy]phenol
CID 54220189
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
5-(4-chlorophenoxy)-N-propylpentan-1-amine
CID 62454599

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methoxyphenoxy)pentan-1-amine?
The IUPAC name of N-butyl-5-(4-methoxyphenoxy)pentan-1-amine (CID 2248889) is N-butyl-5-(4-methoxyphenoxy)pentan-1-amine.
What is the SMILES notation for N-butyl-5-(4-methoxyphenoxy)pentan-1-amine?
The canonical SMILES for N-butyl-5-(4-methoxyphenoxy)pentan-1-amine is CCCCNCCCCCOc1ccc(OC)cc1.
What is the InChIKey of N-butyl-5-(4-methoxyphenoxy)pentan-1-amine?
The InChIKey is WUVZRCMJWIAOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-12-17-13-6-5-7-14-19-16-10-8-15(18-2)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3.
What are the key properties of N-butyl-5-(4-methoxyphenoxy)pentan-1-amine?
N-butyl-5-(4-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-(4-methoxyphenoxy)pentan-1-amine is sourced from PubChem (CID 2248889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).