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

C24H35N3O2 — CID 119125069

IUPACN-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCCOc1cc(CNC(C)CN2CCN(C)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H35N3O2/c1-4-28-24-16-22(10-11-23(24)29-19-21-8-6-5-7-9-21)17-25-20(2)18-27-14-12-26(3)13-15-27/h5-11,16,20,25H,4,12-15,17-19H2,1-3H3
InChIKeyVDEVMXVHJTTWOQ-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.39
Rot. Bonds10

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

N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 119125069) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID119125069
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCCOc1cc(CNC(C)CN2CCN(C)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H35N3O2/c1-4-28-24-16-22(10-11-23(24)29-19-21-8-6-5-7-9-21)17-25-20(2)18-27-14-12-26(3)13-15-27/h5-11,16,20,25H,4,12-15,17-19H2,1-3H3
InChIKeyVDEVMXVHJTTWOQ-UHFFFAOYSA-N
XLogP3.39
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17291399
(2S)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726642
(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 51941240
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78825398
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886112
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 119111277
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
(2R)-N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 100555543

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 119125069) is N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is CCOc1cc(CNC(C)CN2CCN(C)CC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is VDEVMXVHJTTWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-4-28-24-16-22(10-11-23(24)29-19-21-8-6-5-7-9-21)17-25-20(2)18-27-14-12-26(3)13-15-27/h5-11,16,20,25H,4,12-15,17-19H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 397.56 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 119125069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).