[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine

C13H20N2 — CID 26871970

IUPAC[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
SMILESC[C@H]1CCCCN1c1ccccc1CN
InChIInChI=1S/C13H20N2/c1-11-6-4-5-9-15(11)13-8-3-2-7-12(13)10-14/h2-3,7-8,11H,4-6,9-10,14H2,1H3/t11-/m0/s1
InChIKeyNADCYVQOPOFMSQ-NSHDSACASA-N
MW204.32 g/mol
LogP2.52
Rot. Bonds2

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

[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine (PubChem CID 26871970) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
PubChem CID26871970
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
SMILESC[C@H]1CCCCN1c1ccccc1CN
InChIInChI=1S/C13H20N2/c1-11-6-4-5-9-15(11)13-8-3-2-7-12(13)10-14/h2-3,7-8,11H,4-6,9-10,14H2,1H3/t11-/m0/s1
InChIKeyNADCYVQOPOFMSQ-NSHDSACASA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline
CID 82506971
[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
CID 169489145
3-[2-(2-methylpyrrolidin-1-yl)phenyl]propan-1-ol
CID 69333392
[4-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81249026
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine?
The IUPAC name of [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine (CID 26871970) is [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine?
The canonical SMILES for [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine is C[C@H]1CCCCN1c1ccccc1CN.
What is the InChIKey of [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine?
The InChIKey is NADCYVQOPOFMSQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2/c1-11-6-4-5-9-15(11)13-8-3-2-7-12(13)10-14/h2-3,7-8,11H,4-6,9-10,14H2,1H3/t11-/m0/s1.
What are the key properties of [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine?
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 26871970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).