N-heptyl-4-phenoxyaniline

C19H25NO — CID 43129191

IUPACN-heptyl-4-phenoxyaniline
SMILESCCCCCCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-2-3-4-5-9-16-20-17-12-14-19(15-13-17)21-18-10-7-6-8-11-18/h6-8,10-15,20H,2-5,9,16H2,1H3
InChIKeyNKTGPBKDRVDGPL-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.86
Rot. Bonds9

About N-heptyl-4-phenoxyaniline

N-heptyl-4-phenoxyaniline (PubChem CID 43129191) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-heptyl-4-phenoxyaniline.

Molecular Properties

Compound NameN-heptyl-4-phenoxyaniline
PubChem CID43129191
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-heptyl-4-phenoxyaniline
SMILESCCCCCCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-2-3-4-5-9-16-20-17-12-14-19(15-13-17)21-18-10-7-6-8-11-18/h6-8,10-15,20H,2-5,9,16H2,1H3
InChIKeyNKTGPBKDRVDGPL-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-heptyl-4-phenoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-4-phenoxyaniline
CID 28876890
N-butyl-4-phenoxyaniline
CID 4712110
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
N-heptyl-3-phenoxyaniline
CID 63455448
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N-(12-dodecoxydodecyl)aniline
CID 54486065

Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-phenoxyaniline?
The IUPAC name of N-heptyl-4-phenoxyaniline (CID 43129191) is N-heptyl-4-phenoxyaniline.
What is the SMILES notation for N-heptyl-4-phenoxyaniline?
The canonical SMILES for N-heptyl-4-phenoxyaniline is CCCCCCCNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-heptyl-4-phenoxyaniline?
The InChIKey is NKTGPBKDRVDGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-3-4-5-9-16-20-17-12-14-19(15-13-17)21-18-10-7-6-8-11-18/h6-8,10-15,20H,2-5,9,16H2,1H3.
What are the key properties of N-heptyl-4-phenoxyaniline?
N-heptyl-4-phenoxyaniline has a molecular weight of 283.42 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-phenoxyaniline is sourced from PubChem (CID 43129191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).