1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine

C19H32N2 — CID 83053219

IUPAC1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
SMILESCCCC1CCCCN1C(c1cccc(C)c1)C(N)CC
InChIInChI=1S/C19H32N2/c1-4-9-17-12-6-7-13-21(17)19(18(20)5-2)16-11-8-10-15(3)14-16/h8,10-11,14,17-19H,4-7,9,12-13,20H2,1-3H3
InChIKeyITFZSWHIJZSGDJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine

1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine (PubChem CID 83053219) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
PubChem CID83053219
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
SMILESCCCC1CCCCN1C(c1cccc(C)c1)C(N)CC
InChIInChI=1S/C19H32N2/c1-4-9-17-12-6-7-13-21(17)19(18(20)5-2)16-11-8-10-15(3)14-16/h8,10-11,14,17-19H,4-7,9,12-13,20H2,1-3H3
InChIKeyITFZSWHIJZSGDJ-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
2-(2-propylpiperidin-1-yl)pentan-3-amine
CID 83053461
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
CID 63215904
1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053529
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 104689043
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053523
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine (CID 83053219) is 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine is CCCC1CCCCN1C(c1cccc(C)c1)C(N)CC.
What is the InChIKey of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
The InChIKey is ITFZSWHIJZSGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-9-17-12-6-7-13-21(17)19(18(20)5-2)16-11-8-10-15(3)14-16/h8,10-11,14,17-19H,4-7,9,12-13,20H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 83053219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).