(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine

C14H18ClNO2 — CID 43152791

IUPAC(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
SMILESNC(c1cc2c(cc1Cl)OCCO2)C1CCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-8-13-12(17-5-6-18-13)7-10(11)14(16)9-3-1-2-4-9/h7-9,14H,1-6,16H2
InChIKeyYFERPNAGCHIYSX-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.30
Rot. Bonds2

About (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine (PubChem CID 43152791) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
PubChem CID43152791
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
SMILESNC(c1cc2c(cc1Cl)OCCO2)C1CCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-8-13-12(17-5-6-18-13)7-10(11)14(16)9-3-1-2-4-9/h7-9,14H,1-6,16H2
InChIKeyYFERPNAGCHIYSX-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-cyclopentylmethanamine
CID 43152830
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-cyclopropylmethanamine
CID 43152826
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(oxan-3-yl)methanamine
CID 63011221
7-chloro-8-[chloro(cyclohexyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63433297
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-cyclopentylpropan-1-amine
CID 43152782
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclopropylethanamine
CID 55031996
(1R,2S)-2-amino-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyclopentylethanol
CID 171271354
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine (CID 43152791) is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine is NC(c1cc2c(cc1Cl)OCCO2)C1CCCC1.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine?
The InChIKey is YFERPNAGCHIYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-8-13-12(17-5-6-18-13)7-10(11)14(16)9-3-1-2-4-9/h7-9,14H,1-6,16H2.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine?
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine has a molecular weight of 267.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine is sourced from PubChem (CID 43152791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).