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

C16H27N3O — CID 43585070

IUPAC[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
SMILESCC(C)N1CCN(CCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H27N3O/c1-14(2)19-9-7-18(8-10-19)11-12-20-16-5-3-15(13-17)4-6-16/h3-6,14H,7-13,17H2,1-2H3
InChIKeySSNHXMCXBYEZMI-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.55
Rot. Bonds6

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

[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 43585070) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
PubChem CID43585070
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
SMILESCC(C)N1CCN(CCOc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H27N3O/c1-14(2)19-9-7-18(8-10-19)11-12-20-16-5-3-15(13-17)4-6-16/h3-6,14H,7-13,17H2,1-2H3
InChIKeySSNHXMCXBYEZMI-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 62775375
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
4-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774580
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine (CID 43585070) is [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine is CC(C)N1CCN(CCOc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is SSNHXMCXBYEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(2)19-9-7-18(8-10-19)11-12-20-16-5-3-15(13-17)4-6-16/h3-6,14H,7-13,17H2,1-2H3.
What are the key properties of [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine?
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43585070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).