(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

C15H14ClNO2 — CID 105076308

IUPAC(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cccc2c1OCCO2
InChIInChI=1S/C15H14ClNO2/c16-11-6-4-10(5-7-11)14(17)12-2-1-3-13-15(12)19-9-8-18-13/h1-7,14H,8-9,17H2
InChIKeyPJFAZXVOIZPEOM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.16
Rot. Bonds2

About (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (PubChem CID 105076308) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
PubChem CID105076308
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cccc2c1OCCO2
InChIInChI=1S/C15H14ClNO2/c16-11-6-4-10(5-7-11)14(17)12-2-1-3-13-15(12)19-9-8-18-13/h1-7,14H,8-9,17H2
InChIKeyPJFAZXVOIZPEOM-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105175829
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63542434
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105183679
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (CID 105076308) is (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is NC(c1ccc(Cl)cc1)c1cccc2c1OCCO2.
What is the InChIKey of (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The InChIKey is PJFAZXVOIZPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-11-6-4-10(5-7-11)14(17)12-2-1-3-13-15(12)19-9-8-18-13/h1-7,14H,8-9,17H2.
What are the key properties of (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine has a molecular weight of 275.74 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is sourced from PubChem (CID 105076308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).