N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride

C23H42ClN — CID 175358884

IUPACN,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
SMILESCCCCCCCCCCCCCCc1ccccc1CN(C)C.Cl
InChIInChI=1S/C23H41N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2)3;/h16-17,19-20H,4-15,18,21H2,1-3H3;1H
InChIKeyUMDNSVSFIQVCEY-UHFFFAOYSA-N
MW368.05 g/mol
LogP7.41
Rot. Bonds15

About N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride

N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride (PubChem CID 175358884) has the molecular formula C23H42ClN and a molecular weight of 368.05 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
PubChem CID175358884
Molecular FormulaC23H42ClN
Molecular Weight368.05 g/mol
Exact Mass367.30
IUPAC NameN,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
SMILESCCCCCCCCCCCCCCc1ccccc1CN(C)C.Cl
InChIInChI=1S/C23H41N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2)3;/h16-17,19-20H,4-15,18,21H2,1-3H3;1H
InChIKeyUMDNSVSFIQVCEY-UHFFFAOYSA-N
XLogP7.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.05
LogP ≤ 57.41
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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1,2-di(nonadecyl)benzene
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1,2-di(undecyl)benzene
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CID 172833093
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride (CID 175358884) is N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride is CCCCCCCCCCCCCCc1ccccc1CN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride?
The InChIKey is UMDNSVSFIQVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2)3;/h16-17,19-20H,4-15,18,21H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride?
N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride has a molecular weight of 368.05 g/mol, XLogP of 7.41, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 175358884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).