N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine

C17H28N2 — CID 54941227

IUPACN-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1cccc(CNCCCN2CCCCC2)c1C
InChIInChI=1S/C17H28N2/c1-15-8-6-9-17(16(15)2)14-18-10-7-13-19-11-4-3-5-12-19/h6,8-9,18H,3-5,7,10-14H2,1-2H3
InChIKeyKDKDKYSDYCMFMG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds6

About N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 54941227) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID54941227
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1cccc(CNCCCN2CCCCC2)c1C
InChIInChI=1S/C17H28N2/c1-15-8-6-9-17(16(15)2)14-18-10-7-13-19-11-4-3-5-12-19/h6,8-9,18H,3-5,7,10-14H2,1-2H3
InChIKeyKDKDKYSDYCMFMG-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107096728
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
N-[(3-bromo-2-fluorophenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107951107
2-methyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 115924245
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
N-[(2-chloro-3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112652039
2-fluoro-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 112606300
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 54941227) is N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine is Cc1cccc(CNCCCN2CCCCC2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is KDKDKYSDYCMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-8-6-9-17(16(15)2)14-18-10-7-13-19-11-4-3-5-12-19/h6,8-9,18H,3-5,7,10-14H2,1-2H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54941227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).