N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine

C13H18ClNO2 — CID 62798500

IUPACN-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1COCCO1
InChIInChI=1S/C13H18ClNO2/c1-2-15-13(12-9-16-7-8-17-12)10-3-5-11(14)6-4-10/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyFEGVLAJPLFEMAP-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.41
Rot. Bonds4

About N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine

N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine (PubChem CID 62798500) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
PubChem CID62798500
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1COCCO1
InChIInChI=1S/C13H18ClNO2/c1-2-15-13(12-9-16-7-8-17-12)10-3-5-11(14)6-4-10/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyFEGVLAJPLFEMAP-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62800281
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
(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
CID 62803673
[1,4-dioxan-2-yl-(4-propylphenyl)methyl]hydrazine
CID 105303764
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[(3-bromo-4-fluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 79747032
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
N-[(2,4-difluoro-5-methylphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 79725090
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-[1,4-dioxan-2-yl-(2-ethyl-1-benzofuran-3-yl)methyl]ethanamine
CID 62957513

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine (CID 62798500) is N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)C1COCCO1.
What is the InChIKey of N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
The InChIKey is FEGVLAJPLFEMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-15-13(12-9-16-7-8-17-12)10-3-5-11(14)6-4-10/h3-6,12-13,15H,2,7-9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine?
N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine has a molecular weight of 255.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 62798500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).