2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine

C23H32N2 — CID 83972711

IUPAC2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(C(CN)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C23H32N2/c1-17-4-7-20(8-5-17)16-25-12-10-21(11-13-25)23(15-24)22-9-6-18(2)19(3)14-22/h4-9,14,21,23H,10-13,15-16,24H2,1-3H3
InChIKeyCUSUMBMBHBJOMS-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.57
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine

2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 83972711) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID83972711
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(C(CN)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C23H32N2/c1-17-4-7-20(8-5-17)16-25-12-10-21(11-13-25)23(15-24)22-9-6-18(2)19(3)14-22/h4-9,14,21,23H,10-13,15-16,24H2,1-3H3
InChIKeyCUSUMBMBHBJOMS-UHFFFAOYSA-N
XLogP4.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83973668
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83972701
2-(1-benzylpiperidin-4-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 112539179
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene
CID 82077773
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83972813
2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 83972707

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine (CID 83972711) is 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine is Cc1ccc(CN2CCC(C(CN)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is CUSUMBMBHBJOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-17-4-7-20(8-5-17)16-25-12-10-21(11-13-25)23(15-24)22-9-6-18(2)19(3)14-22/h4-9,14,21,23H,10-13,15-16,24H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 336.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 83972711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).