N-hexyl-4-(2-phenoxyethoxy)aniline

C20H27NO2 — CID 54799916

IUPACN-hexyl-4-(2-phenoxyethoxy)aniline
SMILESCCCCCCNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C20H27NO2/c1-2-3-4-8-15-21-18-11-13-20(14-12-18)23-17-16-22-19-9-6-5-7-10-19/h5-7,9-14,21H,2-4,8,15-17H2,1H3
InChIKeyYVDYVTMHGNLDSX-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.14
Rot. Bonds11

About N-hexyl-4-(2-phenoxyethoxy)aniline

N-hexyl-4-(2-phenoxyethoxy)aniline (PubChem CID 54799916) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-hexyl-4-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-hexyl-4-(2-phenoxyethoxy)aniline
PubChem CID54799916
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-hexyl-4-(2-phenoxyethoxy)aniline
SMILESCCCCCCNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C20H27NO2/c1-2-3-4-8-15-21-18-11-13-20(14-12-18)23-17-16-22-19-9-6-5-7-10-19/h5-7,9-14,21H,2-4,8,15-17H2,1H3
InChIKeyYVDYVTMHGNLDSX-UHFFFAOYSA-N
XLogP5.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191
4-butoxy-N-butylaniline
CID 15112153
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
3-butoxy-N-octylaniline
CID 54800685
N-nonadecylaniline
CID 54509054
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-butyl-4-phenoxyaniline
CID 4712110

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(2-phenoxyethoxy)aniline?
The IUPAC name of N-hexyl-4-(2-phenoxyethoxy)aniline (CID 54799916) is N-hexyl-4-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-hexyl-4-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-hexyl-4-(2-phenoxyethoxy)aniline is CCCCCCNc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-hexyl-4-(2-phenoxyethoxy)aniline?
The InChIKey is YVDYVTMHGNLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-2-3-4-8-15-21-18-11-13-20(14-12-18)23-17-16-22-19-9-6-5-7-10-19/h5-7,9-14,21H,2-4,8,15-17H2,1H3.
What are the key properties of N-hexyl-4-(2-phenoxyethoxy)aniline?
N-hexyl-4-(2-phenoxyethoxy)aniline has a molecular weight of 313.44 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54799916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).