(2-octyl-6-phenylphenyl)methanamine;hydrochloride

C21H30ClN — CID 118513340

IUPAC(2-octyl-6-phenylphenyl)methanamine;hydrochloride
SMILESCCCCCCCCc1cccc(-c2ccccc2)c1CN.Cl
InChIInChI=1S/C21H29N.ClH/c1-2-3-4-5-6-8-14-19-15-11-16-20(21(19)17-22)18-12-9-7-10-13-18;/h7,9-13,15-16H,2-6,8,14,17,22H2,1H3;1H
InChIKeyIFPPYHHZEFNOMV-UHFFFAOYSA-N
MW331.93 g/mol
LogP6.14
Rot. Bonds9

About (2-octyl-6-phenylphenyl)methanamine;hydrochloride

(2-octyl-6-phenylphenyl)methanamine;hydrochloride (PubChem CID 118513340) has the molecular formula C21H30ClN and a molecular weight of 331.93 g/mol. Its IUPAC name is (2-octyl-6-phenylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-octyl-6-phenylphenyl)methanamine;hydrochloride
PubChem CID118513340
Molecular FormulaC21H30ClN
Molecular Weight331.93 g/mol
Exact Mass331.21
IUPAC Name(2-octyl-6-phenylphenyl)methanamine;hydrochloride
SMILESCCCCCCCCc1cccc(-c2ccccc2)c1CN.Cl
InChIInChI=1S/C21H29N.ClH/c1-2-3-4-5-6-8-14-19-15-11-16-20(21(19)17-22)18-12-9-7-10-13-18;/h7,9-13,15-16H,2-6,8,14,17,22H2,1H3;1H
InChIKeyIFPPYHHZEFNOMV-UHFFFAOYSA-N
XLogP6.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.93
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-octyl-6-phenylphenyl)methanamine;hydrochloride 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

1,2-di(nonyl)-3-phenylbenzene;phosphonous acid
CID 70527839
1-hexyl-2,3-diphenylbenzene
CID 54065322
gold;1-pentyl-2-phenylbenzene
CID 174945702
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
1-hexyl-3-phenyl-2-(2-phenylethynyl)benzene
CID 101034679
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
(2-heptylphenyl)methanamine
CID 57355618
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444
1,2-dibutyl-3-dodecylbenzene
CID 91050964

Frequently Asked Questions

What is the IUPAC name of (2-octyl-6-phenylphenyl)methanamine;hydrochloride?
The IUPAC name of (2-octyl-6-phenylphenyl)methanamine;hydrochloride (CID 118513340) is (2-octyl-6-phenylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-octyl-6-phenylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-octyl-6-phenylphenyl)methanamine;hydrochloride is CCCCCCCCc1cccc(-c2ccccc2)c1CN.Cl.
What is the InChIKey of (2-octyl-6-phenylphenyl)methanamine;hydrochloride?
The InChIKey is IFPPYHHZEFNOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N.ClH/c1-2-3-4-5-6-8-14-19-15-11-16-20(21(19)17-22)18-12-9-7-10-13-18;/h7,9-13,15-16H,2-6,8,14,17,22H2,1H3;1H.
What are the key properties of (2-octyl-6-phenylphenyl)methanamine;hydrochloride?
(2-octyl-6-phenylphenyl)methanamine;hydrochloride has a molecular weight of 331.93 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octyl-6-phenylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 118513340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).