benzene;N-octyl-N-phenylnaphthalen-2-amine

C30H35N — CID 174859594

IUPACbenzene;N-octyl-N-phenylnaphthalen-2-amine
SMILESCCCCCCCCN(c1ccccc1)c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C24H29N.C6H6/c1-2-3-4-5-6-12-19-25(23-15-8-7-9-16-23)24-18-17-21-13-10-11-14-22(21)20-24;1-2-4-6-5-3-1/h7-11,13-18,20H,2-6,12,19H2,1H3;1-6H
InChIKeyZTAFGAAZWABOLI-UHFFFAOYSA-N
MW409.62 g/mol
LogP9.02
Rot. Bonds9

About benzene;N-octyl-N-phenylnaphthalen-2-amine

benzene;N-octyl-N-phenylnaphthalen-2-amine (PubChem CID 174859594) has the molecular formula C30H35N and a molecular weight of 409.62 g/mol. Its IUPAC name is benzene;N-octyl-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Namebenzene;N-octyl-N-phenylnaphthalen-2-amine
PubChem CID174859594
Molecular FormulaC30H35N
Molecular Weight409.62 g/mol
Exact Mass409.28
IUPAC Namebenzene;N-octyl-N-phenylnaphthalen-2-amine
SMILESCCCCCCCCN(c1ccccc1)c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C24H29N.C6H6/c1-2-3-4-5-6-12-19-25(23-15-8-7-9-16-23)24-18-17-21-13-10-11-14-22(21)20-24;1-2-4-6-5-3-1/h7-11,13-18,20H,2-6,12,19H2,1H3;1-6H
InChIKeyZTAFGAAZWABOLI-UHFFFAOYSA-N
XLogP9.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-N-(4-octylphenyl)naphthalen-2-amine
CID 22735158
butane;N-octyl-N-phenylaniline
CID 175431375
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
3-(N-hexadecylanilino)phenol
CID 21083116
naphthalen-1-amine;N-nonyl-N-phenylaniline
CID 174946941
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
N-hexyl-N-phenylthiophen-3-amine
CID 118311453
N-butyl-3-chloro-N-phenylaniline
CID 23348476
1-N-butyl-4-methyl-1-N-phenylbenzene-1,3-diamine
CID 64584977
9-hexyl-3-N,6-N-dinaphthalen-2-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 142740904
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
CID 18942806

Frequently Asked Questions

What is the IUPAC name of benzene;N-octyl-N-phenylnaphthalen-2-amine?
The IUPAC name of benzene;N-octyl-N-phenylnaphthalen-2-amine (CID 174859594) is benzene;N-octyl-N-phenylnaphthalen-2-amine.
What is the SMILES notation for benzene;N-octyl-N-phenylnaphthalen-2-amine?
The canonical SMILES for benzene;N-octyl-N-phenylnaphthalen-2-amine is CCCCCCCCN(c1ccccc1)c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;N-octyl-N-phenylnaphthalen-2-amine?
The InChIKey is ZTAFGAAZWABOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N.C6H6/c1-2-3-4-5-6-12-19-25(23-15-8-7-9-16-23)24-18-17-21-13-10-11-14-22(21)20-24;1-2-4-6-5-3-1/h7-11,13-18,20H,2-6,12,19H2,1H3;1-6H.
What are the key properties of benzene;N-octyl-N-phenylnaphthalen-2-amine?
benzene;N-octyl-N-phenylnaphthalen-2-amine has a molecular weight of 409.62 g/mol, XLogP of 9.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-octyl-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 174859594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).