N-methyl-1-(4-octylphenyl)methanamine;hydrochloride

C16H28ClN — CID 173405325

IUPACN-methyl-1-(4-octylphenyl)methanamine;hydrochloride
SMILESCCCCCCCCc1ccc(CNC)cc1.Cl
InChIInChI=1S/C16H27N.ClH/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14-17-2;/h10-13,17H,3-9,14H2,1-2H3;1H
InChIKeyKIMRMQKQBPDZCH-UHFFFAOYSA-N
MW269.86 g/mol
LogP4.73
Rot. Bonds9

About N-methyl-1-(4-octylphenyl)methanamine;hydrochloride

N-methyl-1-(4-octylphenyl)methanamine;hydrochloride (PubChem CID 173405325) has the molecular formula C16H28ClN and a molecular weight of 269.86 g/mol. Its IUPAC name is N-methyl-1-(4-octylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-octylphenyl)methanamine;hydrochloride
PubChem CID173405325
Molecular FormulaC16H28ClN
Molecular Weight269.86 g/mol
Exact Mass269.19
IUPAC NameN-methyl-1-(4-octylphenyl)methanamine;hydrochloride
SMILESCCCCCCCCc1ccc(CNC)cc1.Cl
InChIInChI=1S/C16H27N.ClH/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14-17-2;/h10-13,17H,3-9,14H2,1-2H3;1H
InChIKeyKIMRMQKQBPDZCH-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.86
LogP ≤ 54.73
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

N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
1-butyl-4-nonylbenzene
CID 59545302
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329852
1-methyl-4-octylbenzene
CID 11052746
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine
CID 153355251

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-octylphenyl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(4-octylphenyl)methanamine;hydrochloride (CID 173405325) is N-methyl-1-(4-octylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-octylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(4-octylphenyl)methanamine;hydrochloride is CCCCCCCCc1ccc(CNC)cc1.Cl.
What is the InChIKey of N-methyl-1-(4-octylphenyl)methanamine;hydrochloride?
The InChIKey is KIMRMQKQBPDZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.ClH/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14-17-2;/h10-13,17H,3-9,14H2,1-2H3;1H.
What are the key properties of N-methyl-1-(4-octylphenyl)methanamine;hydrochloride?
N-methyl-1-(4-octylphenyl)methanamine;hydrochloride has a molecular weight of 269.86 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-octylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 173405325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).