[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine

C14H22N2 — CID 107105459

IUPAC[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
SMILESCc1cccc(CN)c1N1CCCCC1C
InChIInChI=1S/C14H22N2/c1-11-6-5-8-13(10-15)14(11)16-9-4-3-7-12(16)2/h5-6,8,12H,3-4,7,9-10,15H2,1-2H3
InChIKeyFJWYZSPWQQPNHP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.83
Rot. Bonds2

About [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine

[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine (PubChem CID 107105459) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
PubChem CID107105459
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
SMILESCc1cccc(CN)c1N1CCCCC1C
InChIInChI=1S/C14H22N2/c1-11-6-5-8-13(10-15)14(11)16-9-4-3-7-12(16)2/h5-6,8,12H,3-4,7,9-10,15H2,1-2H3
InChIKeyFJWYZSPWQQPNHP-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
CID 107105560
3-methyl-2-(2-methylpiperidin-1-yl)benzoic acid
CID 107112011
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
CID 107105667
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
CID 107105834
[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
CID 107105724
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine (CID 107105459) is [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine is Cc1cccc(CN)c1N1CCCCC1C.
What is the InChIKey of [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is FJWYZSPWQQPNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-6-5-8-13(10-15)14(11)16-9-4-3-7-12(16)2/h5-6,8,12H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine?
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107105459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).