N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

C21H30ClN3O — CID 119122334

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCCN1CCN(CC(C)CNCc2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C21H30ClN3O/c1-3-24-10-12-25(13-11-24)16-17(2)14-23-15-18-8-9-21(26-18)19-6-4-5-7-20(19)22/h4-9,17,23H,3,10-16H2,1-2H3
InChIKeyQYAKQRVKVCTDLD-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.96
Rot. Bonds8

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine (PubChem CID 119122334) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
PubChem CID119122334
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCCN1CCN(CC(C)CNCc2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C21H30ClN3O/c1-3-24-10-12-25(13-11-24)16-17(2)14-23-15-18-8-9-21(26-18)19-6-4-5-7-20(19)22/h4-9,17,23H,3,10-16H2,1-2H3
InChIKeyQYAKQRVKVCTDLD-UHFFFAOYSA-N
XLogP3.96
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine with MolForge

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Related Compounds

3-(4-ethylpiperazin-1-yl)-2-methyl-N-[[5-(4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 119122326
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693
(2S)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 99124959
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 62419647
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea
CID 52506587
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2S)-2-methyl-3-piperidin-1-ylpropyl]urea
CID 52506585
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine (CID 119122334) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine is CCN1CCN(CC(C)CNCc2ccc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
The InChIKey is QYAKQRVKVCTDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-3-24-10-12-25(13-11-24)16-17(2)14-23-15-18-8-9-21(26-18)19-6-4-5-7-20(19)22/h4-9,17,23H,3,10-16H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine has a molecular weight of 375.94 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 119122334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).