N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine

C14H20ClNO3 — CID 62800281

IUPACN-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)C1COCCO1
InChIInChI=1S/C14H20ClNO3/c1-3-16-14(13-9-18-6-7-19-13)10-4-5-12(17-2)11(15)8-10/h4-5,8,13-14,16H,3,6-7,9H2,1-2H3
InChIKeyLZTFCGIDLGTXPF-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.41
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine

N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine (PubChem CID 62800281) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
PubChem CID62800281
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)C1COCCO1
InChIInChI=1S/C14H20ClNO3/c1-3-16-14(13-9-18-6-7-19-13)10-4-5-12(17-2)11(15)8-10/h4-5,8,13-14,16H,3,6-7,9H2,1-2H3
InChIKeyLZTFCGIDLGTXPF-UHFFFAOYSA-N
XLogP2.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62798500
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 55120194
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503
N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477445
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
N-[(2-chloro-4,5-difluorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 107476476
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
CID 114286912
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105006959

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine (CID 62800281) is N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine is CCNC(c1ccc(OC)c(Cl)c1)C1COCCO1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The InChIKey is LZTFCGIDLGTXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-16-14(13-9-18-6-7-19-13)10-4-5-12(17-2)11(15)8-10/h4-5,8,13-14,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine has a molecular weight of 285.77 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 62800281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).