(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride

C16H20ClNO3 — CID 69114272

IUPAC(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(OCc2ccccc2)c(OC)c1CN.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-18-14-8-9-15(16(19-2)13(14)10-17)20-11-12-6-4-3-5-7-12;/h3-9H,10-11,17H2,1-2H3;1H
InChIKeyPPBDPPAPRNTHMW-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.16
Rot. Bonds6

About (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride

(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 69114272) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID69114272
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(OCc2ccccc2)c(OC)c1CN.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-18-14-8-9-15(16(19-2)13(14)10-17)20-11-12-6-4-3-5-7-12;/h3-9H,10-11,17H2,1-2H3;1H
InChIKeyPPBDPPAPRNTHMW-UHFFFAOYSA-N
XLogP3.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257
3-methoxy-4-phenylmethoxyaniline
CID 27226
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride (CID 69114272) is (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride is COc1ccc(OCc2ccccc2)c(OC)c1CN.Cl.
What is the InChIKey of (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is PPBDPPAPRNTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-18-14-8-9-15(16(19-2)13(14)10-17)20-11-12-6-4-3-5-7-12;/h3-9H,10-11,17H2,1-2H3;1H.
What are the key properties of (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 69114272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).