1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine

C17H28N2 — CID 82021677

IUPAC1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1ccc(C)c(C(N)CCN2CCC(C)CC2)c1
InChIInChI=1S/C17H28N2/c1-13-6-9-19(10-7-13)11-8-17(18)16-12-14(2)4-5-15(16)3/h4-5,12-13,17H,6-11,18H2,1-3H3
InChIKeyUFMHWFQBRURWIQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine

1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 82021677) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID82021677
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1ccc(C)c(C(N)CCN2CCC(C)CC2)c1
InChIInChI=1S/C17H28N2/c1-13-6-9-19(10-7-13)11-8-17(18)16-12-14(2)4-5-15(16)3/h4-5,12-13,17H,6-11,18H2,1-3H3
InChIKeyUFMHWFQBRURWIQ-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 103532436
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 82021677) is 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is Cc1ccc(C)c(C(N)CCN2CCC(C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is UFMHWFQBRURWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-9-19(10-7-13)11-8-17(18)16-12-14(2)4-5-15(16)3/h4-5,12-13,17H,6-11,18H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 82021677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).