1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol

C17H28N2O2 — CID 79308781

IUPAC1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
SMILESCOc1ccc(C(O)C(C)N(C)CC2CCCN2C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(19(3)12-15-6-5-11-18(15)2)17(20)14-7-9-16(21-4)10-8-14/h7-10,13,15,17,20H,5-6,11-12H2,1-4H3
InChIKeyDRQOVAYHBYMREJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.14
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol

1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol (PubChem CID 79308781) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
PubChem CID79308781
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
SMILESCOc1ccc(C(O)C(C)N(C)CC2CCCN2C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(19(3)12-15-6-5-11-18(15)2)17(20)14-7-9-16(21-4)10-8-14/h7-10,13,15,17,20H,5-6,11-12H2,1-4H3
InChIKeyDRQOVAYHBYMREJ-UHFFFAOYSA-N
XLogP2.14
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 63712304
2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol
CID 82983747
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303265
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
(1S)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79319971
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
(2R)-2-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrrolidine
CID 143472093

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol (CID 79308781) is 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol is COc1ccc(C(O)C(C)N(C)CC2CCCN2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
The InChIKey is DRQOVAYHBYMREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(19(3)12-15-6-5-11-18(15)2)17(20)14-7-9-16(21-4)10-8-14/h7-10,13,15,17,20H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 79308781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).