[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol

C16H26N2O — CID 70785359

IUPAC[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cccc(CN2C[C@@H](CN(C)C)[C@@H](CO)C2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-14(7-13)8-18-10-15(9-17(2)3)16(11-18)12-19/h4-7,15-16,19H,8-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyOKCBWPKXMHDXPT-HZPDHXFCSA-N
MW262.40 g/mol
LogP1.60
Rot. Bonds5

About [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70785359) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID70785359
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cccc(CN2C[C@@H](CN(C)C)[C@@H](CO)C2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-14(7-13)8-18-10-15(9-17(2)3)16(11-18)12-19/h4-7,15-16,19H,8-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyOKCBWPKXMHDXPT-HZPDHXFCSA-N
XLogP1.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70741382
[1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 78085255
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 70704457
[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 110202984
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70737753
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70783318
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
3-azido-1-[(3-methylphenyl)methyl]azetidine
CID 121200162

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol (CID 70785359) is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol is Cc1cccc(CN2C[C@@H](CN(C)C)[C@@H](CO)C2)c1.
What is the InChIKey of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is OKCBWPKXMHDXPT-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-4-6-14(7-13)8-18-10-15(9-17(2)3)16(11-18)12-19/h4-7,15-16,19H,8-12H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70785359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).