N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine

C15H25N3 — CID 43585498

IUPACN-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESCNCc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H25N3/c1-13(2)17-8-10-18(11-9-17)15-7-5-4-6-14(15)12-16-3/h4-7,13,16H,8-12H2,1-3H3
InChIKeyHKSYWHUNIAHKBY-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine

N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine (PubChem CID 43585498) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
PubChem CID43585498
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESCNCc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H25N3/c1-13(2)17-8-10-18(11-9-17)15-7-5-4-6-14(15)12-16-3/h4-7,13,16H,8-12H2,1-3H3
InChIKeyHKSYWHUNIAHKBY-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073744

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine (CID 43585498) is N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine is CNCc1ccccc1N1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is HKSYWHUNIAHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)17-8-10-18(11-9-17)15-7-5-4-6-14(15)12-16-3/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine?
N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 43585498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).