N-phenoxy-1-phenyl-N-propylpentan-1-amine

C20H27NO — CID 88834253

IUPACN-phenoxy-1-phenyl-N-propylpentan-1-amine
SMILESCCCCC(c1ccccc1)N(CCC)Oc1ccccc1
InChIInChI=1S/C20H27NO/c1-3-5-16-20(18-12-8-6-9-13-18)21(17-4-2)22-19-14-10-7-11-15-19/h6-15,20H,3-5,16-17H2,1-2H3
InChIKeyYBLNQSZKBMXDSK-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.62
Rot. Bonds9

About N-phenoxy-1-phenyl-N-propylpentan-1-amine

N-phenoxy-1-phenyl-N-propylpentan-1-amine (PubChem CID 88834253) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-phenoxy-1-phenyl-N-propylpentan-1-amine.

Molecular Properties

Compound NameN-phenoxy-1-phenyl-N-propylpentan-1-amine
PubChem CID88834253
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-phenoxy-1-phenyl-N-propylpentan-1-amine
SMILESCCCCC(c1ccccc1)N(CCC)Oc1ccccc1
InChIInChI=1S/C20H27NO/c1-3-5-16-20(18-12-8-6-9-13-18)21(17-4-2)22-19-14-10-7-11-15-19/h6-15,20H,3-5,16-17H2,1-2H3
InChIKeyYBLNQSZKBMXDSK-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-pentoxy-1-phenyltridecan-1-amine
CID 174435018
N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
CID 173290484
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
CID 175213976
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
tributyl(phenoxy)phosphanium
CID 23415293
1-pentoxybutylbenzene
CID 173061669
N,N-dimethyl-1,3-diphenylheptan-1-amine
CID 165348529

Frequently Asked Questions

What is the IUPAC name of N-phenoxy-1-phenyl-N-propylpentan-1-amine?
The IUPAC name of N-phenoxy-1-phenyl-N-propylpentan-1-amine (CID 88834253) is N-phenoxy-1-phenyl-N-propylpentan-1-amine.
What is the SMILES notation for N-phenoxy-1-phenyl-N-propylpentan-1-amine?
The canonical SMILES for N-phenoxy-1-phenyl-N-propylpentan-1-amine is CCCCC(c1ccccc1)N(CCC)Oc1ccccc1.
What is the InChIKey of N-phenoxy-1-phenyl-N-propylpentan-1-amine?
The InChIKey is YBLNQSZKBMXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-5-16-20(18-12-8-6-9-13-18)21(17-4-2)22-19-14-10-7-11-15-19/h6-15,20H,3-5,16-17H2,1-2H3.
What are the key properties of N-phenoxy-1-phenyl-N-propylpentan-1-amine?
N-phenoxy-1-phenyl-N-propylpentan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxy-1-phenyl-N-propylpentan-1-amine is sourced from PubChem (CID 88834253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).