N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine

C19H31ClN2O3 — CID 119111278

IUPACN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCCCOc1c(Cl)cc(CNC(C)CN2CCOCC2)cc1OCC
InChIInChI=1S/C19H31ClN2O3/c1-4-8-25-19-17(20)11-16(12-18(19)24-5-2)13-21-15(3)14-22-6-9-23-10-7-22/h11-12,15,21H,4-10,13-14H2,1-3H3
InChIKeyHCYCTFXNMYCFOK-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.34
Rot. Bonds10

About N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 119111278) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID119111278
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCCCOc1c(Cl)cc(CNC(C)CN2CCOCC2)cc1OCC
InChIInChI=1S/C19H31ClN2O3/c1-4-8-25-19-17(20)11-16(12-18(19)24-5-2)13-21-15(3)14-22-6-9-23-10-7-22/h11-12,15,21H,4-10,13-14H2,1-3H3
InChIKeyHCYCTFXNMYCFOK-UHFFFAOYSA-N
XLogP3.34
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3-chloro-4,5-diethoxyphenyl)methyl]butan-2-amine
CID 40726533
(1S)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylethanamine
CID 29226441
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473298
(2S)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 40726527
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122987
2-[3-chloro-5-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22681076
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592
1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051875
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]pentan-1-amine
CID 29226512
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17055470
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
CID 83952634

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 119111278) is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine is CCCOc1c(Cl)cc(CNC(C)CN2CCOCC2)cc1OCC.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is HCYCTFXNMYCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O3/c1-4-8-25-19-17(20)11-16(12-18(19)24-5-2)13-21-15(3)14-22-6-9-23-10-7-22/h11-12,15,21H,4-10,13-14H2,1-3H3.
What are the key properties of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 370.92 g/mol, XLogP of 3.34, 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]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 119111278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).