[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine

C14H19ClN2O — CID 55153180

IUPAC[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine
SMILESNCc1ccc(N2CCOC3CCCC32)cc1Cl
InChIInChI=1S/C14H19ClN2O/c15-12-8-11(5-4-10(12)9-16)17-6-7-18-14-3-1-2-13(14)17/h4-5,8,13-14H,1-3,6-7,9,16H2
InChIKeyRBXPDGRKRFZHBH-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.56
Rot. Bonds2

About [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine

[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine (PubChem CID 55153180) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine
PubChem CID55153180
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine
SMILESNCc1ccc(N2CCOC3CCCC32)cc1Cl
InChIInChI=1S/C14H19ClN2O/c15-12-8-11(5-4-10(12)9-16)17-6-7-18-14-3-1-2-13(14)17/h4-5,8,13-14H,1-3,6-7,9,16H2
InChIKeyRBXPDGRKRFZHBH-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-bromo-4-(bromomethyl)phenyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 114060503
(4aR,8aR)-4-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;hydrochloride
CID 174218235
N-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62128617
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methylphenyl]propan-2-amine
CID 63816721
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-bromophenyl]ethanamine
CID 55236391
4-[(4-bromo-2-chlorophenyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 113228500
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
CID 63678344
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-fluorobenzenecarbothioamide
CID 115368180
4-(1,2,3,4-tetrahydroquinolin-7-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 81214589
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol
CID 114067473
1-[3-chloro-4-(chloromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114064368
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2,6-dichloroaniline
CID 82833402

Frequently Asked Questions

What is the IUPAC name of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine?
The IUPAC name of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine (CID 55153180) is [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine.
What is the SMILES notation for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine?
The canonical SMILES for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine is NCc1ccc(N2CCOC3CCCC32)cc1Cl.
What is the InChIKey of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine?
The InChIKey is RBXPDGRKRFZHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-8-11(5-4-10(12)9-16)17-6-7-18-14-3-1-2-13(14)17/h4-5,8,13-14H,1-3,6-7,9,16H2.
What are the key properties of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine?
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine has a molecular weight of 266.77 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-chlorophenyl]methanamine is sourced from PubChem (CID 55153180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).