N-[10-(4-nitrophenoxy)decyl]aniline

C22H30N2O3 — CID 15706921

IUPACN-[10-(4-nitrophenoxy)decyl]aniline
SMILESO=[N+]([O-])c1ccc(OCCCCCCCCCCNc2ccccc2)cc1
InChIInChI=1S/C22H30N2O3/c25-24(26)21-14-16-22(17-15-21)27-19-11-6-4-2-1-3-5-10-18-23-20-12-8-7-9-13-20/h7-9,12-17,23H,1-6,10-11,18-19H2
InChIKeyRQPJAYILVOYVFM-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.21
Rot. Bonds14

About N-[10-(4-nitrophenoxy)decyl]aniline

N-[10-(4-nitrophenoxy)decyl]aniline (PubChem CID 15706921) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[10-(4-nitrophenoxy)decyl]aniline.

Molecular Properties

Compound NameN-[10-(4-nitrophenoxy)decyl]aniline
PubChem CID15706921
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[10-(4-nitrophenoxy)decyl]aniline
SMILESO=[N+]([O-])c1ccc(OCCCCCCCCCCNc2ccccc2)cc1
InChIInChI=1S/C22H30N2O3/c25-24(26)21-14-16-22(17-15-21)27-19-11-6-4-2-1-3-5-10-18-23-20-12-8-7-9-13-20/h7-9,12-17,23H,1-6,10-11,18-19H2
InChIKeyRQPJAYILVOYVFM-UHFFFAOYSA-N
XLogP6.21
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[10-(4-nitrophenoxy)decyl]aniline 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-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
4-[2-(4-nitroanilino)ethoxy]aniline
CID 63237676
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
methyl 4-[3-(4-nitroanilino)propoxy]benzoate
CID 14882823
1-nitro-4-octadecoxybenzene
CID 4258205
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
1-anilino-3-(4-nitrophenoxy)propan-2-ol
CID 2883975
6-(4-nitroanilino)hexanoic acid
CID 15992782
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
N-(3-chloropropyl)-4-nitroaniline
CID 91619861
1-nitro-4-(3-phenylmethoxypropoxy)benzene
CID 15012606
N-[2-(2-methylphenoxy)ethyl]-4-nitroaniline
CID 60526977

Frequently Asked Questions

What is the IUPAC name of N-[10-(4-nitrophenoxy)decyl]aniline?
The IUPAC name of N-[10-(4-nitrophenoxy)decyl]aniline (CID 15706921) is N-[10-(4-nitrophenoxy)decyl]aniline.
What is the SMILES notation for N-[10-(4-nitrophenoxy)decyl]aniline?
The canonical SMILES for N-[10-(4-nitrophenoxy)decyl]aniline is O=[N+]([O-])c1ccc(OCCCCCCCCCCNc2ccccc2)cc1.
What is the InChIKey of N-[10-(4-nitrophenoxy)decyl]aniline?
The InChIKey is RQPJAYILVOYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-24(26)21-14-16-22(17-15-21)27-19-11-6-4-2-1-3-5-10-18-23-20-12-8-7-9-13-20/h7-9,12-17,23H,1-6,10-11,18-19H2.
What are the key properties of N-[10-(4-nitrophenoxy)decyl]aniline?
N-[10-(4-nitrophenoxy)decyl]aniline has a molecular weight of 370.49 g/mol, XLogP of 6.21, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(4-nitrophenoxy)decyl]aniline is sourced from PubChem (CID 15706921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).