N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride

C19H20ClNO — CID 2964158

IUPACN-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride
SMILESCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C19H19NO.ClH/c1-20-13-18-17-10-6-5-9-16(17)11-12-19(18)21-14-15-7-3-2-4-8-15;/h2-12,20H,13-14H2,1H3;1H
InChIKeyPDRSISMVRLDHMW-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.56
Rot. Bonds5

About N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride

N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride (PubChem CID 2964158) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride
PubChem CID2964158
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride
SMILESCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C19H19NO.ClH/c1-20-13-18-17-10-6-5-9-16(17)11-12-19(18)21-14-15-7-3-2-4-8-15;/h2-12,20H,13-14H2,1H3;1H
InChIKeyPDRSISMVRLDHMW-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride (CID 2964158) is N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride is CNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.
What is the InChIKey of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride?
The InChIKey is PDRSISMVRLDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c1-20-13-18-17-10-6-5-9-16(17)11-12-19(18)21-14-15-7-3-2-4-8-15;/h2-12,20H,13-14H2,1H3;1H.
What are the key properties of N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride?
N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylmethoxynaphthalen-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 2964158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).