N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride

C21H36ClNO2 — CID 21435442

IUPACN-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
SMILESCOc1ccc(CNC2CCCCCCCCCCC2)c(OC)c1.Cl
InChIInChI=1S/C21H35NO2.ClH/c1-23-20-15-14-18(21(16-20)24-2)17-22-19-12-10-8-6-4-3-5-7-9-11-13-19;/h14-16,19,22H,3-13,17H2,1-2H3;1H
InChIKeyDNUNMIDNYRTGJH-UHFFFAOYSA-N
MW369.98 g/mol
LogP5.89
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride (PubChem CID 21435442) has the molecular formula C21H36ClNO2 and a molecular weight of 369.98 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
PubChem CID21435442
Molecular FormulaC21H36ClNO2
Molecular Weight369.98 g/mol
Exact Mass369.24
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
SMILESCOc1ccc(CNC2CCCCCCCCCCC2)c(OC)c1.Cl
InChIInChI=1S/C21H35NO2.ClH/c1-23-20-15-14-18(21(16-20)24-2)17-22-19-12-10-8-6-4-3-5-7-9-11-13-19;/h14-16,19,22H,3-13,17H2,1-2H3;1H
InChIKeyDNUNMIDNYRTGJH-UHFFFAOYSA-N
XLogP5.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.98
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride (CID 21435442) is N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride is COc1ccc(CNC2CCCCCCCCCCC2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride?
The InChIKey is DNUNMIDNYRTGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2.ClH/c1-23-20-15-14-18(21(16-20)24-2)17-22-19-12-10-8-6-4-3-5-7-9-11-13-19;/h14-16,19,22H,3-13,17H2,1-2H3;1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride has a molecular weight of 369.98 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride is sourced from PubChem (CID 21435442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).