N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine

C19H26FNO — CID 142550109

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine
SMILESCCCCCN(Cc1ccc(F)cc1)C1=CC=C(OC)CC1
InChIInChI=1S/C19H26FNO/c1-3-4-5-14-21(15-16-6-8-17(20)9-7-16)18-10-12-19(22-2)13-11-18/h6-10,12H,3-5,11,13-15H2,1-2H3
InChIKeyGTZJMOPRVYKSQM-UHFFFAOYSA-N
MW303.42 g/mol
LogP5.03
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine

N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine (PubChem CID 142550109) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine
PubChem CID142550109
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine
SMILESCCCCCN(Cc1ccc(F)cc1)C1=CC=C(OC)CC1
InChIInChI=1S/C19H26FNO/c1-3-4-5-14-21(15-16-6-8-17(20)9-7-16)18-10-12-19(22-2)13-11-18/h6-10,12H,3-5,11,13-15H2,1-2H3
InChIKeyGTZJMOPRVYKSQM-UHFFFAOYSA-N
XLogP5.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine (CID 142550109) is N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine is CCCCCN(Cc1ccc(F)cc1)C1=CC=C(OC)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine?
The InChIKey is GTZJMOPRVYKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO/c1-3-4-5-14-21(15-16-6-8-17(20)9-7-16)18-10-12-19(22-2)13-11-18/h6-10,12H,3-5,11,13-15H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine?
N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine has a molecular weight of 303.42 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142550109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).