N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine

C16H27N3 — CID 115213074

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
SMILESCN1CCCC(CCNCc2cccc(CN)c2)C1
InChIInChI=1S/C16H27N3/c1-19-9-3-6-14(13-19)7-8-18-12-16-5-2-4-15(10-16)11-17/h2,4-5,10,14,18H,3,6-9,11-13,17H2,1H3
InChIKeyFVWZZNKQEJAMBL-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.97
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine

N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 115213074) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
PubChem CID115213074
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
SMILESCN1CCCC(CCNCc2cccc(CN)c2)C1
InChIInChI=1S/C16H27N3/c1-19-9-3-6-14(13-19)7-8-18-12-16-5-2-4-15(10-16)11-17/h2,4-5,10,14,18H,3,6-9,11-13,17H2,1H3
InChIKeyFVWZZNKQEJAMBL-UHFFFAOYSA-N
XLogP1.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615071
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040388
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
CID 116925958
N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine
CID 115213105
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine (CID 115213074) is N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine is CN1CCCC(CCNCc2cccc(CN)c2)C1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is FVWZZNKQEJAMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19-9-3-6-14(13-19)7-8-18-12-16-5-2-4-15(10-16)11-17/h2,4-5,10,14,18H,3,6-9,11-13,17H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 115213074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).