1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine

C15H22ClNO2 — CID 66472315

IUPAC1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)CCC1OCCCO1
InChIInChI=1S/C15H22ClNO2/c1-12(13-5-3-6-14(16)11-13)17(2)8-7-15-18-9-4-10-19-15/h3,5-6,11-12,15H,4,7-10H2,1-2H3
InChIKeyNDCMYWKQTLYDEM-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.49
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine

1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine (PubChem CID 66472315) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
PubChem CID66472315
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)CCC1OCCCO1
InChIInChI=1S/C15H22ClNO2/c1-12(13-5-3-6-14(16)11-13)17(2)8-7-15-18-9-4-10-19-15/h3,5-6,11-12,15H,4,7-10H2,1-2H3
InChIKeyNDCMYWKQTLYDEM-UHFFFAOYSA-N
XLogP3.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(3-chlorophenyl)ethyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63503142
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976655
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 104750700
N-[1-(3-chlorophenyl)ethyl]-3,3-diethoxy-N-methylpropan-1-amine
CID 63630291
4-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethyl]aniline
CID 62979290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine (CID 66472315) is 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine is CC(c1cccc(Cl)c1)N(C)CCC1OCCCO1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine?
The InChIKey is NDCMYWKQTLYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12(13-5-3-6-14(16)11-13)17(2)8-7-15-18-9-4-10-19-15/h3,5-6,11-12,15H,4,7-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine?
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine is sourced from PubChem (CID 66472315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).