N-(8-chlorooctyl)-N-phenylaniline

C20H26ClN — CID 10852868

IUPACN-(8-chlorooctyl)-N-phenylaniline
SMILESClCCCCCCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26ClN/c21-17-11-3-1-2-4-12-18-22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
InChIKeyPCZHDOCFKLSZQA-UHFFFAOYSA-N
MW315.89 g/mol
LogP6.40
Rot. Bonds10

About N-(8-chlorooctyl)-N-phenylaniline

N-(8-chlorooctyl)-N-phenylaniline (PubChem CID 10852868) has the molecular formula C20H26ClN and a molecular weight of 315.89 g/mol. Its IUPAC name is N-(8-chlorooctyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(8-chlorooctyl)-N-phenylaniline
PubChem CID10852868
Molecular FormulaC20H26ClN
Molecular Weight315.89 g/mol
Exact Mass315.18
IUPAC NameN-(8-chlorooctyl)-N-phenylaniline
SMILESClCCCCCCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26ClN/c21-17-11-3-1-2-4-12-18-22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
InChIKeyPCZHDOCFKLSZQA-UHFFFAOYSA-N
XLogP6.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.89
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;N-octyl-N-phenylaniline
CID 175431375
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
CID 58759192
N-(5-methylidenehept-6-enyl)-N-phenylaniline
CID 121412697
3-(N-hexadecylanilino)phenol
CID 21083116
N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline
CID 54754280
N-hexyl-N-phenylthiophen-3-amine
CID 118311453
3-(N-[4-(chloromethyl)phenyl]anilino)propanenitrile
CID 28946405
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
4-(N-phenylanilino)butyl acetate
CID 2782353

Frequently Asked Questions

What is the IUPAC name of N-(8-chlorooctyl)-N-phenylaniline?
The IUPAC name of N-(8-chlorooctyl)-N-phenylaniline (CID 10852868) is N-(8-chlorooctyl)-N-phenylaniline.
What is the SMILES notation for N-(8-chlorooctyl)-N-phenylaniline?
The canonical SMILES for N-(8-chlorooctyl)-N-phenylaniline is ClCCCCCCCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(8-chlorooctyl)-N-phenylaniline?
The InChIKey is PCZHDOCFKLSZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN/c21-17-11-3-1-2-4-12-18-22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2.
What are the key properties of N-(8-chlorooctyl)-N-phenylaniline?
N-(8-chlorooctyl)-N-phenylaniline has a molecular weight of 315.89 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chlorooctyl)-N-phenylaniline is sourced from PubChem (CID 10852868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).