1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride

C9H14ClNO — CID 17292353

IUPAC1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(OC)cc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-10-7-8-3-5-9(11-2)6-4-8;/h3-6,10H,7H2,1-2H3;1H
InChIKeyNNANAKYVZOHKHW-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.84
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride

1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride (PubChem CID 17292353) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride
PubChem CID17292353
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(OC)cc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-10-7-8-3-5-9(11-2)6-4-8;/h3-6,10H,7H2,1-2H3;1H
InChIKeyNNANAKYVZOHKHW-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride (CID 17292353) is 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride is CNCc1ccc(OC)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is NNANAKYVZOHKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-10-7-8-3-5-9(11-2)6-4-8;/h3-6,10H,7H2,1-2H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride?
1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17292353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).