N-ethyl-N-pentoxy-1-phenyltridecan-1-amine

C26H47NO — CID 174435018

IUPACN-ethyl-N-pentoxy-1-phenyltridecan-1-amine
SMILESCCCCCCCCCCCCC(c1ccccc1)N(CC)OCCCCC
InChIInChI=1S/C26H47NO/c1-4-7-9-10-11-12-13-14-15-19-23-26(25-21-17-16-18-22-25)27(6-3)28-24-20-8-5-2/h16-18,21-22,26H,4-15,19-20,23-24H2,1-3H3
InChIKeyZLWIFAMVTIYTNW-UHFFFAOYSA-N
MW389.67 g/mol
LogP8.48
Rot. Bonds19

About N-ethyl-N-pentoxy-1-phenyltridecan-1-amine

N-ethyl-N-pentoxy-1-phenyltridecan-1-amine (PubChem CID 174435018) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is N-ethyl-N-pentoxy-1-phenyltridecan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-pentoxy-1-phenyltridecan-1-amine
PubChem CID174435018
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC NameN-ethyl-N-pentoxy-1-phenyltridecan-1-amine
SMILESCCCCCCCCCCCCC(c1ccccc1)N(CC)OCCCCC
InChIInChI=1S/C26H47NO/c1-4-7-9-10-11-12-13-14-15-19-23-26(25-21-17-16-18-22-25)27(6-3)28-24-20-8-5-2/h16-18,21-22,26H,4-15,19-20,23-24H2,1-3H3
InChIKeyZLWIFAMVTIYTNW-UHFFFAOYSA-N
XLogP8.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
1-dodecoxyhexylbenzene
CID 174774790
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
1-pentoxybutylbenzene
CID 173061669
N-phenoxy-1-phenyl-N-propylpentan-1-amine
CID 88834253
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
icosan-10-ylbenzene
CID 54351357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pentoxy-1-phenyltridecan-1-amine?
The IUPAC name of N-ethyl-N-pentoxy-1-phenyltridecan-1-amine (CID 174435018) is N-ethyl-N-pentoxy-1-phenyltridecan-1-amine.
What is the SMILES notation for N-ethyl-N-pentoxy-1-phenyltridecan-1-amine?
The canonical SMILES for N-ethyl-N-pentoxy-1-phenyltridecan-1-amine is CCCCCCCCCCCCC(c1ccccc1)N(CC)OCCCCC.
What is the InChIKey of N-ethyl-N-pentoxy-1-phenyltridecan-1-amine?
The InChIKey is ZLWIFAMVTIYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO/c1-4-7-9-10-11-12-13-14-15-19-23-26(25-21-17-16-18-22-25)27(6-3)28-24-20-8-5-2/h16-18,21-22,26H,4-15,19-20,23-24H2,1-3H3.
What are the key properties of N-ethyl-N-pentoxy-1-phenyltridecan-1-amine?
N-ethyl-N-pentoxy-1-phenyltridecan-1-amine has a molecular weight of 389.67 g/mol, XLogP of 8.48, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pentoxy-1-phenyltridecan-1-amine is sourced from PubChem (CID 174435018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).