4-pentyl-N-(2-phenylethyl)aniline

C19H25N — CID 29284918

IUPAC4-pentyl-N-(2-phenylethyl)aniline
SMILESCCCCCc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-2-3-5-8-18-11-13-19(14-12-18)20-16-15-17-9-6-4-7-10-17/h4,6-7,9-14,20H,2-3,5,8,15-16H2,1H3
InChIKeyCVMYGTNPVDWPAH-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.07
Rot. Bonds8

About 4-pentyl-N-(2-phenylethyl)aniline

4-pentyl-N-(2-phenylethyl)aniline (PubChem CID 29284918) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-pentyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-pentyl-N-(2-phenylethyl)aniline
PubChem CID29284918
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-pentyl-N-(2-phenylethyl)aniline
SMILESCCCCCc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-2-3-5-8-18-11-13-19(14-12-18)20-16-15-17-9-6-4-7-10-17/h4,6-7,9-14,20H,2-3,5,8,15-16H2,1H3
InChIKeyCVMYGTNPVDWPAH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
N-(3,3-dimethylbutyl)-4-pentylaniline
CID 63421581
ethane;N-(2-phenylethyl)aniline
CID 91194556
octaoctacontylbenzene
CID 165359374
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-ethyl-4-nonylaniline
CID 154108619
pentylbenzene;trifluoroalumane
CID 175083479
pentylbenzene;phosphorous acid
CID 174842783

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-(2-phenylethyl)aniline?
The IUPAC name of 4-pentyl-N-(2-phenylethyl)aniline (CID 29284918) is 4-pentyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-pentyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-pentyl-N-(2-phenylethyl)aniline is CCCCCc1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of 4-pentyl-N-(2-phenylethyl)aniline?
The InChIKey is CVMYGTNPVDWPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-2-3-5-8-18-11-13-19(14-12-18)20-16-15-17-9-6-4-7-10-17/h4,6-7,9-14,20H,2-3,5,8,15-16H2,1H3.
What are the key properties of 4-pentyl-N-(2-phenylethyl)aniline?
4-pentyl-N-(2-phenylethyl)aniline has a molecular weight of 267.42 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 29284918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).