N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

C14H20ClNO2 — CID 104585198

IUPACN-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(12-6-4-5-7-13(12)15)16-11-8-17-14(2,3)18-9-11/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyRHPKECLIAZYYKF-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 104585198) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID104585198
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(12-6-4-5-7-13(12)15)16-11-8-17-14(2,3)18-9-11/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyRHPKECLIAZYYKF-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
N-[(1S)-1-(2-chlorophenyl)ethyl]oxepan-4-amine
CID 81377433
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 104585198) is N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is CC(NC1COC(C)(C)OC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is RHPKECLIAZYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(12-6-4-5-7-13(12)15)16-11-8-17-14(2,3)18-9-11/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 269.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 104585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).