(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine

C13H18ClNO2 — CID 81376970

IUPAC(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCOCO1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-10(12-4-2-3-5-13(12)14)15-8-11-6-7-16-9-17-11/h2-5,10-11,15H,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyDLAOHIVJZWXTDF-NFJWQWPMSA-N
MW255.75 g/mol
LogP2.75
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine

(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine (PubChem CID 81376970) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
PubChem CID81376970
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCOCO1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-10(12-4-2-3-5-13(12)14)15-8-11-6-7-16-9-17-11/h2-5,10-11,15H,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyDLAOHIVJZWXTDF-NFJWQWPMSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(3-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102298
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline
CID 81101182
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine (CID 81376970) is (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine is C[C@@H](NCC1CCOCO1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine?
The InChIKey is DLAOHIVJZWXTDF-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(12-4-2-3-5-13(12)14)15-8-11-6-7-16-9-17-11/h2-5,10-11,15H,6-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine?
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine has a molecular weight of 255.75 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 81376970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).