[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine

C13H20N2 — CID 61224005

IUPAC[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCC1CCN(Cc2cccc(CN)c2)C1
InChIInChI=1S/C13H20N2/c1-11-5-6-15(9-11)10-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,8-10,14H2,1H3
InChIKeyLHBMNQCXRNBFIA-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.99
Rot. Bonds3

About [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine

[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 61224005) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID61224005
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCC1CCN(Cc2cccc(CN)c2)C1
InChIInChI=1S/C13H20N2/c1-11-5-6-15(9-11)10-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,8-10,14H2,1H3
InChIKeyLHBMNQCXRNBFIA-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
[3-[(4-methylsulfanylazepan-1-yl)methyl]phenyl]methanamine
CID 114236668
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 61224005) is [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine is CC1CCN(Cc2cccc(CN)c2)C1.
What is the InChIKey of [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is LHBMNQCXRNBFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-5-6-15(9-11)10-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,8-10,14H2,1H3.
What are the key properties of [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 61224005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).