1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride

C16H27ClN2O — CID 120899620

IUPAC1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCOc1ccc(CN(C)CC2(C)CCNC2)cc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13-9-14(5-6-15(13)19-4)10-18(3)12-16(2)7-8-17-11-16;/h5-6,9,17H,7-8,10-12H2,1-4H3;1H
InChIKeyVOMWDAFEHYUHDF-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (PubChem CID 120899620) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
PubChem CID120899620
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCOc1ccc(CN(C)CC2(C)CCNC2)cc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13-9-14(5-6-15(13)19-4)10-18(3)12-16(2)7-8-17-11-16;/h5-6,9,17H,7-8,10-12H2,1-4H3;1H
InChIKeyVOMWDAFEHYUHDF-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897682
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83691069
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115249490
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (CID 120899620) is 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride is COc1ccc(CN(C)CC2(C)CCNC2)cc1C.Cl.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The InChIKey is VOMWDAFEHYUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-13-9-14(5-6-15(13)19-4)10-18(3)12-16(2)7-8-17-11-16;/h5-6,9,17H,7-8,10-12H2,1-4H3;1H.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 120899620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).