1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride

C14H20Cl3N — CID 51346817

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl
InChIInChI=1S/C14H19Cl2N.ClH/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11;/h5-6,9,17H,2-4,7-8,10H2,1H3;1H
InChIKeyNVDCJFKPLMLZSU-UHFFFAOYSA-N
MW308.68 g/mol
LogP4.84
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride (PubChem CID 51346817) has the molecular formula C14H20Cl3N and a molecular weight of 308.68 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride
PubChem CID51346817
Molecular FormulaC14H20Cl3N
Molecular Weight308.68 g/mol
Exact Mass307.07
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl
InChIInChI=1S/C14H19Cl2N.ClH/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11;/h5-6,9,17H,2-4,7-8,10H2,1H3;1H
InChIKeyNVDCJFKPLMLZSU-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride (CID 51346817) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride is CNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
The InChIKey is NVDCJFKPLMLZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N.ClH/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11;/h5-6,9,17H,2-4,7-8,10H2,1H3;1H.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride has a molecular weight of 308.68 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 51346817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).