N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine

C20H34ClN3O2 — CID 119122987

IUPACN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCCOc1c(Cl)cc(CNCC(C)N2CCN(C)CC2)cc1OCC
InChIInChI=1S/C20H34ClN3O2/c1-5-11-26-20-18(21)12-17(13-19(20)25-6-2)15-22-14-16(3)24-9-7-23(4)8-10-24/h12-13,16,22H,5-11,14-15H2,1-4H3
InChIKeyLHUJEHUPTQGWMA-UHFFFAOYSA-N
MW383.96 g/mol
LogP3.25
Rot. Bonds10

About N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine

N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 119122987) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID119122987
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCCOc1c(Cl)cc(CNCC(C)N2CCN(C)CC2)cc1OCC
InChIInChI=1S/C20H34ClN3O2/c1-5-11-26-20-18(21)12-17(13-19(20)25-6-2)15-22-14-16(3)24-9-7-23(4)8-10-24/h12-13,16,22H,5-11,14-15H2,1-4H3
InChIKeyLHUJEHUPTQGWMA-UHFFFAOYSA-N
XLogP3.25
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]pentan-1-amine
CID 29226512
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 119111278
(1S)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29226441
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29226358
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127584
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
CID 83952634
(2S)-1-[2-[(3-chloro-4,5-diethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 28700914
(2S)-N-[(3-chloro-4,5-diethoxyphenyl)methyl]butan-2-amine
CID 40726533
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473298

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 119122987) is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine is CCCOc1c(Cl)cc(CNCC(C)N2CCN(C)CC2)cc1OCC.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is LHUJEHUPTQGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClN3O2/c1-5-11-26-20-18(21)12-17(13-19(20)25-6-2)15-22-14-16(3)24-9-7-23(4)8-10-24/h12-13,16,22H,5-11,14-15H2,1-4H3.
What are the key properties of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 383.96 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 119122987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).