2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine

C19H32N2 — CID 103499393

IUPAC2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C19H32N2/c1-15(2)13-20-14-18-7-5-6-8-19(18)21-11-9-17(10-12-21)16(3)4/h5-8,15-17,20H,9-14H2,1-4H3
InChIKeyMREIGSXJSYBSCP-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds6

About 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine

2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 103499393) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID103499393
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C19H32N2/c1-15(2)13-20-14-18-7-5-6-8-19(18)21-11-9-17(10-12-21)16(3)4/h5-8,15-17,20H,9-14H2,1-4H3
InChIKeyMREIGSXJSYBSCP-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63551607
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836661
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058724
1-cyclopropyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethanol
CID 63294792
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine (CID 103499393) is 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccccc1N1CCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is MREIGSXJSYBSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)13-20-14-18-7-5-6-8-19(18)21-11-9-17(10-12-21)16(3)4/h5-8,15-17,20H,9-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 103499393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).