N-nonadecan-10-yl-N-phenylaniline

C31H49N — CID 175110004

IUPACN-nonadecan-10-yl-N-phenylaniline
SMILESCCCCCCCCCC(CCCCCCCCC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H49N/c1-3-5-7-9-11-13-17-23-29(24-18-14-12-10-8-6-4-2)32(30-25-19-15-20-26-30)31-27-21-16-22-28-31/h15-16,19-22,25-29H,3-14,17-18,23-24H2,1-2H3
InChIKeyJXUGPMTVPGSTRP-UHFFFAOYSA-N
MW435.74 g/mol
LogP10.47
Rot. Bonds19

About N-nonadecan-10-yl-N-phenylaniline

N-nonadecan-10-yl-N-phenylaniline (PubChem CID 175110004) has the molecular formula C31H49N and a molecular weight of 435.74 g/mol. Its IUPAC name is N-nonadecan-10-yl-N-phenylaniline.

Molecular Properties

Compound NameN-nonadecan-10-yl-N-phenylaniline
PubChem CID175110004
Molecular FormulaC31H49N
Molecular Weight435.74 g/mol
Exact Mass435.39
IUPAC NameN-nonadecan-10-yl-N-phenylaniline
SMILESCCCCCCCCCC(CCCCCCCCC)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H49N/c1-3-5-7-9-11-13-17-23-29(24-18-14-12-10-8-6-4-2)32(30-25-19-15-20-26-30)31-27-21-16-22-28-31/h15-16,19-22,25-29H,3-14,17-18,23-24H2,1-2H3
InChIKeyJXUGPMTVPGSTRP-UHFFFAOYSA-N
XLogP10.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 510.47
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

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CID 174670846
1-hexadecan-4-yl-1-phenylhydrazine
CID 175509385
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CID 165044391
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
CID 10893099
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
(1R)-1-phenyloctan-1-ol
CID 12794259
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
1-bromododecan-2-ylbenzene
CID 66043461
1-phenyldecan-1-amine
CID 43175860
1-phenylheptylphosphane
CID 174874892

Frequently Asked Questions

What is the IUPAC name of N-nonadecan-10-yl-N-phenylaniline?
The IUPAC name of N-nonadecan-10-yl-N-phenylaniline (CID 175110004) is N-nonadecan-10-yl-N-phenylaniline.
What is the SMILES notation for N-nonadecan-10-yl-N-phenylaniline?
The canonical SMILES for N-nonadecan-10-yl-N-phenylaniline is CCCCCCCCCC(CCCCCCCCC)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-nonadecan-10-yl-N-phenylaniline?
The InChIKey is JXUGPMTVPGSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49N/c1-3-5-7-9-11-13-17-23-29(24-18-14-12-10-8-6-4-2)32(30-25-19-15-20-26-30)31-27-21-16-22-28-31/h15-16,19-22,25-29H,3-14,17-18,23-24H2,1-2H3.
What are the key properties of N-nonadecan-10-yl-N-phenylaniline?
N-nonadecan-10-yl-N-phenylaniline has a molecular weight of 435.74 g/mol, XLogP of 10.47, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonadecan-10-yl-N-phenylaniline is sourced from PubChem (CID 175110004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).